import numpy as np
import pandas as pd
import scanpy as sc
import anndata as ad
import sklearn as sk
from sklearn.linear_model import LogisticRegression
from sklearn.metrics import classification_report
Load every available dataset.
%%time
adatas = []
for i, row in pd.read_csv('personal.csv').iterrows():
try:
adata = sc.read(f'datasets/{row.Author}_{row.Year}.h5ad')
adata.obs['dataset'] = f'{row.Author}_{row.Year}'
adatas.append(adata)
except FileNotFoundError:
pass
adata = ad.concat(adatas)
CPU times: user 1min 59s, sys: 2min 25s, total: 4min 24s Wall time: 4min 26s
import seaborn as sns
import matplotlib.pyplot as plt
sc.set_figure_params(dpi=100, frameon=False)
/home/icb/yuge.ji/miniconda3/envs/py37/lib/python3.7/site-packages/scanpy/_settings.py:447: DeprecationWarning: `set_matplotlib_formats` is deprecated since IPython 7.23, directly use `matplotlib_inline.backend_inline.set_matplotlib_formats()` IPython.display.set_matplotlib_formats(*ipython_format)
for a in adatas:
df = pd.DataFrame(a.obs.perturbation_name.value_counts())
df = df.reset_index().reset_index()
df.columns = ['nth condition', 'condition', 'n_samples']
display(df.head(5))
plt.figure(figsize=(10, 4))
sns.scatterplot(data=df, x='nth condition', y='n_samples', size=1, legend=None)
plt.yscale('log')
plt.title(a.obs.dataset.values[0])
plt.show()
nth condition | condition | n_samples | |
---|---|---|---|
0 | 0 | ELF1 | 11676 |
1 | 1 | control | 8878 |
2 | 2 | CREB1 | 7587 |
3 | 3 | ELK1 | 7366 |
4 | 4 | INTERGENIC393453 | 7177 |
nth condition | condition | n_samples | |
---|---|---|---|
0 | 0 | 11835 | |
1 | 1 | KLF1 | 1954 |
2 | 2 | BAK1 | 1451 |
3 | 3 | CEBPE | 1230 |
4 | 4 | CEBPE,RUNX1T1 | 1215 |
nth condition | condition | n_samples | |
---|---|---|---|
0 | 0 | JAK | 1503 |
1 | 1 | TIMP | 1483 |
2 | 2 | IFNGR | 1427 |
3 | 3 | SLC5A | 1212 |
4 | 4 | NPC | 1151 |
nth condition | condition | n_samples | |
---|---|---|---|
0 | 0 | Vehicle | 12966 |
1 | 1 | PD98059 | 3754 |
2 | 2 | Tranylcypromine | 3735 |
3 | 3 | WP1066 | 3711 |
4 | 4 | RG108 | 3710 |
Which perturbations are in these datasets?
df = pd.crosstab(adata.obs.perturbation_name, adata.obs.dataset)
df['sum'] = df.sum(axis=1)
pd.crosstab(adata.obs.perturbation_name, adata.obs.dataset)
perturbation_name (+)-JQ1 True 2-Methoxyestradiol True A-366 True ABT-737 True AC480 True ... ZC3HAV1 True ZM 447439 True ZNF318 True Zileuton True control True Length: 1364, dtype: bool
df.sort_values(by='sum', ascending=False)[:50]
dataset | Dixit_2016 | Frangieh_2021 | Norman_2019 | Srivatsan_2019 | sum |
---|---|---|---|---|---|
perturbation_name | |||||
control | 8878 | 0 | 11835 | 0 | 20713 |
DMSO | 0 | 0 | 0 | 12966 | 12966 |
ELF1 | 11676 | 0 | 0 | 0 | 11676 |
CREB1 | 7587 | 0 | 0 | 0 | 7587 |
ELK1 | 7366 | 0 | 0 | 0 | 7366 |
INTERGENIC393453 | 7177 | 0 | 0 | 0 | 7177 |
EGR1 | 6181 | 0 | 321 | 0 | 6502 |
GABPA | 5462 | 0 | 0 | 0 | 5462 |
NR2C2 | 5030 | 0 | 0 | 0 | 5030 |
ETS1 | 4815 | 0 | 0 | 0 | 4815 |
E2F4 | 4516 | 0 | 0 | 0 | 4516 |
IRF1 | 3837 | 0 | 427 | 0 | 4264 |
PD98059 | 0 | 0 | 0 | 3754 | 3754 |
Tranylcypromine | 0 | 0 | 0 | 3735 | 3735 |
WP1066 | 0 | 0 | 0 | 3711 | 3711 |
RG108 | 0 | 0 | 0 | 3710 | 3710 |
Tubastatin A | 0 | 0 | 0 | 3706 | 3706 |
Curcumin | 0 | 0 | 0 | 3685 | 3685 |
GSK-LSD1 2 | 0 | 0 | 0 | 3677 | 3677 |
Busulfan | 0 | 0 | 0 | 3670 | 3670 |
SRT2104 | 0 | 0 | 0 | 3669 | 3669 |
Baricitinib | 0 | 0 | 0 | 3664 | 3664 |
Tacedinaline | 0 | 0 | 0 | 3652 | 3652 |
Capecitabine | 0 | 0 | 0 | 3646 | 3646 |
Tofacitinib | 0 | 0 | 0 | 3635 | 3635 |
Tazemetostat | 0 | 0 | 0 | 3634 | 3634 |
Entacapone | 0 | 0 | 0 | 3623 | 3623 |
BRD4770 | 0 | 0 | 0 | 3619 | 3619 |
WHI-P154 | 0 | 0 | 0 | 3614 | 3614 |
Mesna | 0 | 0 | 0 | 3612 | 3612 |
CEP-33779 | 0 | 0 | 0 | 3598 | 3598 |
Cerdulatinib | 0 | 0 | 0 | 3593 | 3593 |
Anacardic Acid | 0 | 0 | 0 | 3593 | 3593 |
GSK J1 | 0 | 0 | 0 | 3592 | 3592 |
Daphnetin | 0 | 0 | 0 | 3578 | 3578 |
Altretamine | 0 | 0 | 0 | 3566 | 3566 |
PJ34 | 0 | 0 | 0 | 3561 | 3561 |
Filgotinib | 0 | 0 | 0 | 3552 | 3552 |
Triamcinolone Acetonide | 0 | 0 | 0 | 3546 | 3546 |
UNC0631 | 0 | 0 | 0 | 3543 | 3543 |
Ofloxacin | 0 | 0 | 0 | 3543 | 3543 |
Clevudine | 0 | 0 | 0 | 3534 | 3534 |
Valproic acid sodium salt | 0 | 0 | 0 | 3529 | 3529 |
Sirtinol | 0 | 0 | 0 | 3529 | 3529 |
AICAR | 0 | 0 | 0 | 3527 | 3527 |
AG-490 | 0 | 0 | 0 | 3523 | 3523 |
INTERGENIC216151 | 3518 | 0 | 0 | 0 | 3518 |
INTERGENIC1144056 | 3518 | 0 | 0 | 0 | 3518 |
NVP-BSK805 2 | 0 | 0 | 0 | 3505 | 3505 |
MK-0752 | 0 | 0 | 0 | 3495 | 3495 |
freq = ad.AnnData(df.sort_values(by='sum', ascending=False).drop('sum', axis=1))
freq.obs = freq.obs.reset_index()
freq.obs.perturbation_name.values[:20]
array(['control', 'DMSO', 'ELF1', 'CREB1', 'ELK1', 'INTERGENIC393453', 'EGR1', 'GABPA', 'NR2C2', 'ETS1', 'E2F4', 'IRF1', 'PD98059', 'Tranylcypromine', 'WP1066', 'RG108', 'Tubastatin A ', 'Curcumin', 'GSK-LSD1 2', 'Busulfan '], dtype=object)
sc.pl.dotplot(
freq[freq.obs.perturbation_name.isin(freq.obs.perturbation_name.values[:50])],
var_names=freq.var_names,
groupby='perturbation_name',
colorbar_title='n_samples'
)
['a', 'b'].index('b')
1
Which perturbations exist across multiple datasets?
df = pd.crosstab(adata.obs.perturbation_name, adata.obs.dataset)
df = df[np.count_nonzero(df, axis=1) > 1]
df
dataset | Dixit_2016 | Frangieh_2021 | Norman_2019 | Srivatsan_2019 |
---|---|---|---|---|
perturbation_name | ||||
EGR1 | 6181 | 0 | 321 | 0 |
IRF1 | 3837 | 0 | 427 | 0 |
NCL | 0 | 121 | 237 | 0 |
SET | 0 | 415 | 985 | 0 |
control | 8878 | 0 | 11835 | 0 |
sns.barplot(data = df[df.columns[:3]].reset_index().melt(id_vars='perturbation_name'), x='perturbation_name', y='value', hue='dataset')
plt.yscale('log')
plt.legend(bbox_to_anchor = (1.6, 1.01));
import pubchempy as pcp
%%time
for p in adata[adata.obs.dataset == 'Srivatsan_2019'].obs.perturbation_name.unique():
print(p)
try:
cid = pcp.get_cids(p, 'name', list_return='flat')
if len(cid) > 1:
print(cid)
elif len(cid) == 0:
print(f'oh no, nothing found for {p}')
else:
cmpd = pcp.Compound.from_cid(cid)
if p.lower() != cmpd.synonyms[0].lower():
print(cmpd.synonyms[:10])
except:
continue
Enzastaurin Raltitrexed Vehicle oh no, nothing found for Vehicle Lenalidomide Divalproex Sodium MLN8054 Sodium Phenylbutyrate ['Sodium 4-phenylbutyrate', 'SODIUM PHENYLBUTYRATE', '1716-12-7', 'sodium 4-phenylbutanoate', 'Buphenyl', 'TriButyrate', 'Ammonaps', 'Benzenebutanoic acid, sodium salt', '4-Phenylbutyric Acid Sodium Salt', 'sodium;4-phenylbutanoate', '4PBA', '4-phenylbutyric acid sodium', 'UNII-NT6K61736T', 'CHEBI:75316', 'NT6K61736T', 'MFCD00800247', 'DSSTox_CID_20948', 'DSSTox_RID_79606', 'DSSTox_GSID_40948', '4-Phenylbutyrate, Na', 'C10H11NaO2', 'CAS-1716-12-7', 'NSC-657802', 'NCGC00018113-03', 'NSC 657802', 'Ammonapse', 'Lunaphen', 'NaPb', 'Phenylbutyrate Na', '4-phenylbutyric acid, sodium salt', 'Sodium phenylbutyrate [USAN:BAN]', 'Buphenyl (TN)', 'EL-532', 'VP-101', 'sodium-4-phenylbutyrate', 'CHEMBL1746', 'Sodium 4-Phenylbutyrate-d11', 'Phenylbutyric acid sodium salt', 'SCHEMBL125792', '4-PB', 'ACER-001', 'Sodium 4-phenylbutyrate, 95%', 'DTXSID7040948', 'CMK-304', 'Sodium phenylbutyrate (JAN/USP)', 'HMS2089B22', 'HMS3269N07', 'HMS3413B10', 'HMS3652K18', 'HMS3677B10', 'HMS3885P05', 'AMY13389', 'Sodium 4-phenylbutyrate;TriButyrate', 'Tox21_110826', 'CS0031', 's4125', 'AKOS006344763', 'AKOS015967141', 'Tox21_110826_1', 'CCG-213730', 'CCG-265014', 'CS-1397', 'Sodium phenylbutyrate, >=98% (HPLC)', 'NCGC00018113-07', 'NCGC00167830-01', 'AS-13914', 'H454', 'HY-15654', 'SY067225', 'AB0013057', 'A4107', 'FT-0619402', 'SW219199-1', 'AMX0035 COMPONENT SODIUM PHENYLBUTYRATE', 'D05868', 'F14969', 'AMX-0035 COMPONENT SODIUM PHENYLBUTYRATE', 'A811337', 'J-010746', 'J-524277', 'Q7553358', '4-Phenylbutyric acid sodium 100 microg/mL in Acetonitrile:Water', 'Sodium phenylbutyrate, European Pharmacopoeia (EP) Reference Standard', 'Sodium phenylbutyrate, United States Pharmacopeia (USP) Reference Standard'] Celecoxib Linifanib Thalidomide SNS-314 (+)-JQ1 ['1268524-70-4', '(+)-JQ1', '(+)-JQ-1', 'JQ1 compound', 'JQ1', 'JQ-1', '(S)-tert-butyl 2-(4-(4-chlorophenyl)-2,3,9-triMethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate', 'UNII-1MRH0IMX0W', '(S)-JQ1', 'Bromodomain Inhibitor, (+)-JQ1', '1MRH0IMX0W', 'C23H25ClN4O2S', 'CHEMBL1957266', 'tert-butyl (S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate', '(S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate', '6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-trimethyl-, 1,1-dimethylethyl ester, (6S)-', '6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-trimethyl-, 1,1-dimethylethyl ester, (6S)-', 'tert-Butyl 2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-6-yl)acetate', '(S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-6-yl)acetate', '3mxf', '4flp', '4qzs', '(6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid 1,1-dimethylethyl ester', 'tert-butyl 2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate', 'MLS006011158', 'SCHEMBL881227', 'GTPL7511', 'CHEBI:95080', 'DTXSID20155309', 'EX-A457', 'SYN3004', 'CHEBI:137113', 'BDBM50365262', 'NSC760183', 'NSC764043', 's7110', 'ZINC57318556', 'AKOS016344680', '(+)JQ-1', 'ACN-038216', 'CCG-269306', 'CS-0581', 'JQ1 (+)', 'JQ1-(+)', 'NSC-760183', 'NSC-764043', 'NCGC00250412-01', 'NCGC00250412-15', 'NCGC00250412-21', '(S)-tert-butyl 2-(4-(4-chlorophenyl)-2,3,9-triMethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diaz', 'AC-32617', 'AS-16352', 'BP-21590', 'HY-13030', 'SMR004702930', 'AB0047492', 'BB 0262647', '(+)-JQ1, >=98% (HPLC)', 'A854208', 'Q3156953', '(6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]di azepine-6-acetic acid 1,1-dimethylethyl ester', 'tert-butyl (S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate;(S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate', 'tert-butyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate', 'tert-butyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate', 'tert-butyl[(S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate'] S3I-201 ['501919-59-1', 'Nsc 74859', 'S3I-201', '2-hydroxy-4-(2-(tosyloxy)acetamido)benzoic acid', 'S31-201', 'NSC-74859', 'NSC74859', 'UNII-JG1E8503OI', 'MLS002701911', 'S3I201', 'S3I 201', 'JG1E8503OI', '2-Hydroxy-4-[[2-[[(4-methylphenyl)sulfonyl]oxy]acetyl]amino]benzoic acid', 'Benzoic acid, 2-hydroxy-4-((2-(((4-methylphenyl)sulfonyl)oxy)acetyl)amino)-', 'SMR001565495', 'Benzoic acid, 2-hydroxy-4-[[2-[[(4-methylphenyl)sulfonyl]oxy]acetyl]amino]-', 'Salicylic acid, 4-p-toluenesulfonate', 'STAT3-inhibitor-VI', 'NSC 74859 (S3I-201)', 'NCIOpen2_008987', 'cc-515', 'MLS006011065', 'CHEMBL477936', 'cid_252682', 'SCHEMBL4456216', 'BDBM20283', 'CHEBI:91224', 'AOB4162', 'DTXSID00198234', 'EX-A342', 'GLG-302', 'BCPP000083', 'HMS3654C12', 'BCP01761', 'ZINC1621282', '2-hydroxy-4-[[2-(4-methylphenyl)sulfonyloxyacetyl]amino]benzoic acid', 's1155', 'AKOS016366328', 'AM81245', 'CCG-268227', 'CS-0512', 'QC-8386', 'SB17268', 'NCGC00262641-02', 'NSC 74859,S3I-201', 'AC-32045', 'AS-55944', 'HY-15146', 'AB0007928', 'FT-0704713', 'S3I-201 (NSC-74859)', 'S3I-201 - NSC 74859', 'SW219398-1', 'X7562', 'S3I-201, >=97% (HPLC)', 'A25494', 'J-509627', 'Q27163139', '2-hydroxy-4-((((4-methylphenyl)sulfonyloxy)acetyl)amino)-benzoic acid', '2-hydroxy-4-(2-{[(4-methylbenzene)sulfonyl]oxy}acetamido)benzoic acid', '2-Hydroxy-4-[[[[(4-methylphenyl)sulfonyl]oxy]acetyl]amino]-benzoic acid', '2-hydroxy-4-{2-[(4-methylbenzene-1-sulfonyl)oxy]acetamido}benzoic acid', 'S3I-201|||2-Hydroxy-4-[[2-(4-methylphenyl)sulfonyloxyacetyl]amino]benzoic acid'] AZD1480 PF-573228 ['869288-64-2', 'PF-573228', 'PF 573228', 'PF573228', 'PF-228', '3,4-Dihydro-6-[[4-[[[3-(methylsulfonyl)phenyl]methyl]amino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-2(1H)-quinolinone', '6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-3,4-dihydroquinolin-2(1H)-one', 'CHEMBL514554', '6-((4-((3-(Methylsulfonyl)benzyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-3,4-dihydroquinolin-2(1H)-one', '3,4-DIHYDRO-6-[[4-[[[3-(METHYLSULFONYL)PHENYL]METHYL]AMINO]-5-(TRIFLUOROMETHYL)-PYRIMIDIN-2-YL]AMINO]-2(1H)-QUINOLINONE', '6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one', '6-[4-(3-Methanesulfonyl-benzylamino)-5-trifluoromethyl-pyrimidin-2-ylamino]-3,4-dihydro-1H-quinolin-2-one', '6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-3,4-dihydro-1H-quinolin-2-one', '6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1~{H}-quinolin-2-one', 'CID 11612883', 'cc-288', 'MLS006011194', 'SCHEMBL5212404', 'C22H20F3N5O3S', 'CHEBI:91446', 'AOB6346', 'DTXSID10469447', 'HMS3262N09', 'HMS3651A08', 'HMS3672C09', 'BCP03672', 'EX-A2132', 'Tox21_500864', '2638AH', 'BDBM50269948', 'MFCD11519967', 's2013', 'ZINC35636073', 'AKOS024457500', 'CCG-222168', 'CS-3375', 'QC-7329', 'SB19396', 'NCGC00261549-01', 'NCGC00263133-01', 'NCGC00263133-09', 'NCGC00263133-11', '6-((4-((3-(methanesulfonyl)benzyl)amino)-5-trifluoromethylpyrimidin-2-yl)amino)-3,4-dihydro-1h-quinolin-2-one', 'AC-32821', 'BS-17754', 'HY-10461', 'PF 573228 pound>>PF573228', 'SMR004702963', 'BCP0726000162', 'FT-0673652', 'SW220240-1', 'F20679', 'PF-573228, >=95% (HPLC)', 'J-517968', 'Q27163293', '3,4-dihydro-6-[[4-[[[3-(methylsulfonyl)phenyl]methyl]amino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-2(1h)-quinolinon', 'P4N'] CEP-33779 Resminostat Tie2 kinase inhibitor Nintedanib SRT3025 ['SRT3025', '1231952-55-8', 'SRT-3025', 'CID 46245047', '5-(3-methoxypropyl)-2-phenyl-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-4-carboxamide', 'SCHEMBL2637628', 'BCP17152', 'EX-A1174', 'ZINC142166191', 'NCGC00483118-01', 'AC-33662', '5-(3-Methoxypropyl)-2-phenyl-N-(2-(6-(pyrrolidin-1-ylmethyl)thiazolo[5,4-b]pyridin-2-yl)phenyl)thiazole-4-carboxamide'] Avagacestat Quisinostat MC1568 oh no, nothing found for MC1568 Temsirolimus [6918289, 18293306, 23724530, 148191, 53486199, 86287409, 71433778, 129317846, 23308413, 71312019, 145712265, 54608508, 71296107, 86277830, 132274070, 137295275] IOX2 Bosutinib Regorafenib Aurora A Inhibitor I ENMD-2076 Curcumin NVP-BSK805 2 oh no, nothing found for NVP-BSK805 2 Tozasertib Crizotinib Panobinostat Alvespimycin Sorafenib Tosylate Maraviroc Baricitinib Mesna ['mesna', '19767-45-4', 'Sodium 2-mercaptoethanesulfonate', 'Mesnex', 'Uromitexan', 'Mitexan', 'Mistabron', 'Mesnum', '2-Mercaptoethanesulfonic acid sodium salt', 'Mistabronco', 'Sodium 2-mercaptoethane sulfonate', 'Ethanesulfonic acid, 2-mercapto-, monosodium salt', 'UNII-NR7O1405Q9', '2-mercaptoethanesulfonic acid sodium', 'Sodium 2-mercaptoethanesulfonate;Mesnum', 'sodium;2-sulfanylethanesulfonate', 'sodium 2-sulfanylethane-1-sulfonate', 'NR7O1405Q9', 'MFCD00007535', 'NCGC00181166-01', 'DSSTox_CID_809', 'D 7093', 'D-7093', 'DSSTox_RID_75800', 'DSSTox_GSID_20809', 'Mesnum [INN-Latin]', 'C2H5NaO3S2', 'SMR000059219', 'CAS-19767-45-4', 'Natrium 2-mercaptoethansulfonat', 'CCRIS 3712', '2-Mercaptoethane sulfonate sodium', 'NSC-113891', 'EINECS 243-285-9', 'NSC 113891', '2-Mercapto-ethan-sulfonsaeure, natrium-salz', '2-Mercaptoethanesulfonic acid monosodium salt', 'Mesna [USAN:USP:INN:BAN]', '2-Mercaptoethanesulfonate, sodium', 'Uromitexan (TN)', 'sodium 2-mercaptoethane-1-sulfonate', 'Mesnex (TN)', 'Prestwick_1005', 'Spectrum2_000752', 'Spectrum3_001483', 'Spectrum4_000041', 'Spectrum5_001174', 'Mesna (JAN/USP/INN)', 'ACMC-209f1l', 'CHEMBL975', 'SCHEMBL7993', 'Mesna (Uromitexan, Mesnex)', 'KBioGR_000501', 'MLS001074691', 'MLS001333251', 'MLS001333252', 'SPECTRUM1502014', 'SPBio_000764', 'DTXSID1020809', 'CHEBI:31824', 'HMS502F17', 'KBio3_002565', 'EBD6310', 'HMS1921D10', 'HMS2092N09', 'HMS2236L05', 'HMS3259D13', 'HMS3372M11', 'HMS3655M06', 'HMS3715H05', 'sodium, 2-mercapto-ethanesulfonate', 'BCP14384', 'Tox21_112767', 'Tox21_200863', 'BDBM50247978', 'CCG-40134', 's1735', 'AKOS006220661', 'AKOS015960755', 'Tox21_112767_1', 'AC-6011', 'CS-1364', 'NC00648', 'NCGC00094939-01', 'NCGC00094939-02', 'NCGC00178318-04', 'NCGC00258417-01', '2-mercaptoethanesulphonic acid sodium salt', 'AS-13260', 'H751', 'HY-13679', 'AB0013231', 'DB-044962', 'A8469', 'M0913', 'SW199618-2', 'EN300-49858', 'D01459', 'AB01274734-01', 'Q424997', 'Sodium 2-mercaptoethanesulfonate; Mesnaum; Mesnex', 'W-60283', 'Q-201713', '3-AMINOOXY-N-PROPYL(DIMETHYL-T-BUTYLSILYL)ETHER', 'Z1741968275'] Fedratinib Trametinib Roscovitine S-Ruxolitinib JNJ-26854165 ['Serdemetan', '881202-45-5', 'N1-(2-(1H-Indol-3-yl)ethyl)-N4-(pyridin-4-yl)benzene-1,4-diamine', 'JNJ-26854165', 'JNJ 26854165', 'JNJ-26854165 (Serdemetan)', 'JNJ26854165', 'UNII-ID6YB4W3V8', 'ID6YB4W3V8', "N-[2-(1H-INDOL-3-YL)ETHYL]-N'-(4-PYRIDINYL)-1,4-BENZENEDIAMINE", 'C21H20N4', '1-N-[2-(1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine', "n-(2-(1h-indol-3-yl)ethyl)-n'-(4-pyridinyl)-1,4-benzenediamine", 'Serdemetan [INN]', '881202-16-0', 'cc-450', 'MLS006011022', 'SCHEMBL3012498', 'CHEMBL2137530', 'DTXSID30236830', 'EX-A267', 'HMS3654A16', 'JNJ 26854165 (Serdemetan)', 'AOB87702', 'BCP02124', "1,4-Benzenediamine, N-[2-(1H-indol-3-yl)ethyl]-N'-4-pyridinyl-", 'MFCD16620518', "N-(2-(1H-Indol-3-yl)ethyl)-n'-(pyridin-4-yl)benzene-1,4-diamine", 'QC-534', 's1172', 'ZINC15965745', 'AKOS016006774', 'CCG-264846', 'CS-0166', 'DB12027', 'NCGC00263171-01', 'NCGC00263171-08', 'AC-33109', 'AS-56263', 'HY-12025', 'SMR004702818', 'AB0033788', 'FT-0689750', 'SW218152-2', 'X7539', '202I455', 'A862315', 'J-522790', 'Q27280666', 'JNJ-26854165|||1-N-[2-(1H-Indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine', 'JNJ 26854165;N1-(2-(1H-indol-3-yl)ethyl)-N4-(pyridin-4-yl)benzene-1,4-diamine;JNJ-26854165'] Tofacitinib Hesperadin UNC0379 TGX-221 Filgotinib ['1206101-20-3', 'Filgotinib', 'GLPG0634', '1206161-97-8', 'GLPG-0634', 'N-(5-(4-((1,1-dioxidothiomorpholino)methyl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide', 'UNII-3XVL385Q0M', 'GPLG0634', 'Filgotinib(GLPG0634)', '3XVL385Q0M', 'N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide', 'G146034', 'N-[5-[4-[(1,1-Dioxido-4-thiomorpholinyl)methyl]phenyl][1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide', 'Filgotinib (GLPG0634)', 'N-(5-(4-((1,1-dioxidothiomorpholino)methyl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide.', 'Filgotinib [USAN:INN]', 'Jyseleca', 'GLPG 0634', 'N-(5-{4-[(1,1-Dioxidothiomorpholin-4-Yl)methyl]phenyl}[1,2,4]triazolo[1,5-A]pyridin-2-Yl)cyclopropanecarboxamide', 'Filgotinib (USAN/INN)', 'Filgotinib; GPLG0634', 'SCHEMBL253559', 'Filgotinib pound GLPG0643)', 'GS-6034 FREE BASE', 'GTPL7913', 'CHEMBL3301607', 'AMY3802', 'DTXSID80152935', 'EX-A741', 'SYN1158', 'BDBM103727', 'HMS3653P15', 'HMS3673E07', 'AOB87315', 'BCP08496', '2566AH', 'MFCD20527867', 'NSC800100', 's7605', 'ZINC96174616', 'AKOS025291103', 'CCG-268951', 'DB14845', 'NSC-800100', 'SB16799', 'NCGC00345855-01', 'NCGC00345855-07', 'AS-16295', 'BF159062', 'DA-33603', 'DA-33604', 'HY-18300', 'FT-0700114', 'FT-0761510', 'SW220020-1', 'A14232', 'D10871', 'P12798', 'US8563545, 1', 'A892158', 'G-146034', 'J-690063', 'SYN1158;GLPG 0634; GLPG-0634; Filgotinib', 'Q19904163', 'GLPG-0634|||N-[5-[4-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide', 'GLPG0634;N-[5-[4-[(1,1-Dioxido-4-thiomorpholinyl)methyl]phenyl][1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide'] G007-LK WHI-P154 Triamcinolone Acetonide BMS-911543 Flavopiridol ['Flavopiridol', 'Alvocidib', '146426-40-6', 'L 868275', 'L-868275', 'Flavopiridol (Alvocidib)', 'HMR-1275', 'L86-8275', 'UNII-45AD6X575G', 'HMR 1274', '131740-09-5', 'L 86-8275', '2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one', '2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one', 'CHEMBL428690', '45AD6X575G', '2-(2-chlorophenyl)-5,7-dihydroxy-8-((3S,4R)-3-hydroxy-1-methylpiperidin-4-yl)-4H-chromen-4-one', '2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE', 'NSC 649890 HCl', 'MDL-107826A', '2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidyl]chromen-4-one', 'FLAVO', 'Flavoperidol', 'HL-275', 'MDL 107,826A', 'L868275', 'Alvocidib [USAN:INN]', 'alvocidibum', 'CCRIS 9399', 'Alvocidib freebase', '(-)cis-5,7-Dihydroxy-2-(2-chlorophenyl)-8-(4-(3-hydroxy-1-methyl)piperidinyl)-4H-1-benzopyran-4-one', 'NSC649890', 'Tube001', '1c8k', '1e1y', 'Alvocidib (USAN/INN)', 'SCHEMBL3652', 'Flavopiridol HCl; Alvocidib', 'cc-206', 'BDBM5655', 'GTPL5680', 'CHEBI:47344', 'DTXSID20904970', 'EX-A1901', 'Flavopiridol,Alvocidib, HMR-1275', 'HMR-1274', 'MFCD20501884', 'NSC799330', 's1230', 'ZINC21288966', 'AM84422', 'CCG-268666', 'DB03496', 'NSC-799330', '(-)-cis-5,7-dihydroxy-2-(2-chlorophenyl)-8-(4-(3-hydroxy-1-methyl)piperidinyl)-4H-1-benzopyran-4-one', '4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-((3R,4S)-3-hydroxy-1-methyl-4-piperidinyl)-, rel-(-)-', '4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidinyl)-, cis-(-)-', '4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-', 'AS-74761', 'HY-10005', 'A25160', 'D09868', '104780-EP2289877A1', '104780-EP2292601A1', '104780-EP2292603A1', '104780-EP2298739A1', '104780-EP2298771A2', 'J-008219', 'Q4063441', 'BRD-K87909389-001-01-2', '2-(2-chlorophenyl)-5,7-dihydroxy-8-((3S,4R)-3-hydroxy-1-methylpiperidin-4-yl)-4H-chromen-4-one;Alvocidib', '4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-2,3-dihydro-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-', '5,7-Dihydroxy-2-(2-chlorophenyl)-8-(1-methyl-3beta-hydroxypiperidin-4beta-yl)-4H-1-benzopyran-4-one', 'Alvocidib|||L-868275|||HMR-1275|||2-(2-Chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one'] Ruxolitinib CYC116 ['693228-63-6', 'CYC-116', 'CYC116', '4-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine', 'CHEMBL482967', 'CYC 116', '4-Methyl-5-(2-((4-morpholinophenyl)amino)-pyrimidin-4-yl)thiazol-2-amine', '4-methyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine', '4-(2-amino-4-methylthiazol-5-yl)-N-(4-morpholinophenyl)pyrimidin-2-amine', 'Kinome_636', '2uue', '2c5t', '4-methyl-5-(2-((4-morpholinophenyl)amino)pyrimidin-4-yl)thiazol-2-amine', 'cc-470', 'MLS006011244', 'SCHEMBL2074998', 'EX-A753', 'SYN1034', 'BCPP000273', 'HMS3244O11', 'HMS3244O12', 'HMS3244P11', 'HMS3654O14', 'AOB87301', 'BCP01887', 'ZINC3950132', 'BDBM50277583', 'MFCD14155805', 'NSC759498', 'NSC800082', 's1171', 'AKOS015897897', 'BCP9000562', 'CCG-264845', 'CS-0112', 'NSC-759498', 'NSC-800082', 'SB16587', 'NCGC00263204-01', 'NCGC00263204-10', 'AC-32833', 'AS-16201', 'HY-10558', 'SMR004703003', 'FT-0700350', 'SW219491-1', 'X7369', '228C636', 'A866869', 'J-515754', '2-[[4-Morpholinophenyl]amino]-4-(2-amino-4-methylthiazole-5-yl)pyrimidine', '[4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-morpholin-4-yl-phenyl)-amine', '2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine, 5', '2-Pyrimidinamine,4-(2-amino-4-methyl-5-thiazolyl)-N-[4-(4-morpholinyl)phenyl]-', '4-(2-Amino-4-methyl-5-thiazolyl)-N-[4-(4-morpholinyl)phenyl]- 2-Pyrimidinamine', '4-(2-AMINO-4-METHYL-5-THIAZOLYL)-N-[4-(4-MORPHOLINYL)PHENYL]-2-PYRIMIDINAMINE'] AT9283 PJ34 GSK-LSD1 2 oh no, nothing found for GSK-LSD1 2 Droxinostat Momelotinib ['Cyt387', '1056634-68-4', 'MOMELOTINIB', 'Cyt-387', 'CYT 387', 'N-(Cyanomethyl)-4-(2-((4-morpholinophenyl)amino)pyrimidin-4-yl)benzamide', 'CYT 11387', 'UNII-6O01GMS00P', 'N-(cyanomethyl)-4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide', 'N-(cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]benzamide', '6O01GMS00P', 'CHEMBL1078178', 'CYT11387', 'N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide', 'N-(Cyanomethyl)-4-(2-((4-morpholinophenyl)-amino)pyrimidin-4-yl)benzamide', 'CYT-11387', 'GS-0387', 'LM-1149', 'N-(Cyanomethyl)-4-(2-((4-(morpholin-4-yl)phenyl)amino)pyrimidin-4-yl)benzamide', 'N-(cyanomethyl)-4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)benzamide', 'Benzamide, N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)-', 'benzamide, n-(cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]-', 'Momelotinib [USAN:INN]', 'momelotinibum', 'C87', 'Momelotinib (CYT387)', 'Momelotinib (USAN/INN)', 'cc-203', 'MLS006011154', 'GTPL7791', 'SCHEMBL2237234', 'CHEBI:91407', 'AOB4616', 'EX-A260', 'QCR-259', 'SYN1035', 'HMS3244K19', 'HMS3244K20', 'HMS3244L19', 'HMS3295I01', 'HMS3655D12', 'HMS3744C15', 'BCP02328', 'CYT-0387', 'CYT387, CYT11387', 'CYT387,CYT 11387', 'Momelotinib (CYT387,CYT-387)', 'BDBM50311017', 'MFCD16038899', 'NSC767598', 'NSC800800', 's2219', 'ZINC43199890', 'AKOS015904624', 'ACN-029546', 'BCP9000570', 'CCG-264946', 'CS-0053', 'DB11763', 'LS41099', 'NSC-767598', 'NSC-800800', 'SB14602', 'NCGC00244257-01', 'NCGC00244257-08', 'AC-23162', 'AS-19389', 'HY-10961', 'SMR004702928', 'AB0033771', 'FT-0755949', 'SW219679-1', 'X7506', 'D10315', 'A857769', 'Q252602', 'J-001468', 'J-523159', 'BRD-K87737963-001-01-1', 'N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzamide', 'N-(cyanomethyl)-4-[2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]benzamide', 'N-(cyanomethyl)-4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzamide', 'Benzamide,N-(cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]-', 'N-(Cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]benzamide;CYT387'] Azacitidine ['5-azacytidine', 'Azacitidine', '320-67-2', 'Ladakamycin', 'Azacytidine', 'Vidaza', 'Mylosar', '5-azacitidine', 'Azacitidinum', 'Azacitidina', 'Azacitidinum [INN-Latin]', '5-AZAC', 'Azacitidina [INN-Spanish]', 'NSC-102816', 'C8H12N4O5', 'NSC 102816', 'U-18496', '4-Amino-1-beta-D-ribofuranosyl-s-triazin-2(1H)-one', 'UNII-M801H13NRU', 'NSC102816', '5AzaC', '4-Amino-1-beta-d-ribofuranosyl-1,3,5-triazin-2(1H)-one', 'Antibiotic U 18496', 'CHEBI:2038', 'M801H13NRU', '4-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,3,5-triazin-2(1H)-one', '4-Amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one', 'MFCD00006539', '4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one', '4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one', 'WR-183027', 'NCGC00090851-04', 'DSSTox_CID_116', 'U 18496', 'DSSTox_RID_75378', 'DSSTox_GSID_20116', 'U-18,496', 'CCRIS 60', 'SMR000857239', 'Vidaza (TN)', 'HSDB 6879', '5-aza-CR', 'SR-01000075662', 'EINECS 206-280-2', 'BRN 0620461', 'Onureg', 'Azacitidine (JAN/USAN/INN)', 'Azacitidine [USAN:INN:BAN]', '4-Amino-1-beta-D-ribofuranosyl-1,3,5-traizin-2(1H)-one', 'NS-17', '1-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-amino-1,3,5-tri azin-2-one', '4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one', 'CAS-320-67-2', 'Azacitidine (Vidaza)', '2-(beta-D-Ribofuranosyl)-4-amino-1,3,5-triazin-2-one', 'Antibiotic U18496', 'U18496', 'Spectrum_001262', '4-Amino-1-beta-D-ribofuranosyl-1,3,5-triazine-2(1H)-one', 'Spectrum2_000786', 'Spectrum3_001509', 'Spectrum4_000922', 'Spectrum5_001166', 'MolMap_000062', 'A 2385', 'SCHEMBL3741', 'CHEMBL1489', 'Lopac0_000035', 'BSPBio_003157', 'KBioGR_001444', 'KBioGR_002556', 'KBioSS_001742', 'KBioSS_002565', 'MLS001333121', 'MLS001333122', 'MLS002153249', 'MLS002548894', 'DivK1c_000125', 'SPECTRUM1502111', 'SPBio_000892', 'GTPL6796', 'DTXSID9020116', 'BCBcMAP01_000083', 'HMS500G07', 'KBio1_000125', 'KBio2_001742', 'KBio2_002556', 'KBio2_004310', 'KBio2_005124', 'KBio2_006878', 'KBio2_007692', 'KBio3_002657', 'KBio3_003034', 'NMUSYJAQQFHJEW-KVTDHHQDSA-', 'pyrimidine antimetabolite: inhibits nucleic acid replication', 'cMAP_000082', 'NINDS_000125', 'HMS1921J22', 'HMS2092D08', 'HMS2231F15', 'HMS3259D19', 'HMS3260G11', 'Pharmakon1600-01502111', 'ZINC3861768', '5-Azacytidine, >=98% (HPLC)', 'Tox21_111032', 'Tox21_302985', 'Tox21_500035', 'BDBM50424715', 'CCG-39046', 'EBD145507', 'NSC758186', 's1782', 'SBB066305', 'Onureg (CC-486; oral azacitidine)', 'AKOS015896938', 'Tox21_111032_1', 'AM83944', 'CS-1287', 'DB00928', 'LP00035', 'MCULE-8318770472', 'NC00672', 'NSC-758186', 'NSC103-627', '4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triaz', 'IDI1_000125', 'NCGC00090851-01', 'NCGC00090851-02', 'NCGC00090851-03', 'NCGC00090851-05', 'NCGC00090851-06', 'NCGC00090851-07', 'NCGC00090851-08', 'NCGC00090851-10', 'NCGC00090851-14', 'NCGC00090851-22', 'NCGC00178234-01', 'NCGC00256541-01', 'NCGC00260720-01', 'AS-13697', 'HY-10586', 'SRI-10756_10', 'SRI-10756_12', 'ST056940', 'WR183027', 'DB-006955', 'SL-000003', 'EU-0100035', 'D03021', 'F10504', 'J10124', '33795-EP2275420A1', '33795-EP2295055A2', '33795-EP2295416A2', '33795-EP2298748A2', '33795-EP2298764A1', '33795-EP2298765A1', '33795-EP2305642A2', '33795-EP2311453A1', '33795-EP2311840A1', '124679-EP2270008A1', '124679-EP2292617A1', '124679-EP2295426A1', '124679-EP2295427A1', '320A672', 'A821115', 'Q416451', 'J-700085', 'SR-01000075662-1', 'SR-01000075662-3', 'SR-01000075662-7', 'BRD-K03406345-001-02-1', 'BRD-K03406345-001-27-8', '4-Amino-1-?-D-ribofuranosyl-1,3,5-triazin-2(1H)-one', 'Z1522566611', '4-Amino-1-(bet.-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one', '4-Amino-1-beta-D-ribofuranosyl-1,3,5-tr iazin-2(1H)-one', 's-Triazin-2(1H)-one, 4-amino-1-beta-D-ribofuranosyl- (8CI)', 'Azacitidine, United States Pharmacopeia (USP) Reference Standard', '4-Amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one; Ladakamycin', 'Azacitidine, Pharmaceutical Secondary Standard; Certified Reference Material', '1401238-97-8', '5-Azacytidine, Hybri-Max(TM), gamma-irradiated, lyophilized powder, BioXtra, suitable for hybridoma', '5AE', '6-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-1,3,5-triazin-3-ium-2-one'] Roxadustat Glesatinib?(MGCD265) oh no, nothing found for Glesatinib?(MGCD265) Belinostat Fluorouracil ['5-Fluorouracil', 'fluorouracil', '51-21-8', '5-FU', 'Fluoroplex', 'Efudex', 'Adrucil', 'Carac', 'Fluracil', '5-fluoropyrimidine-2,4(1H,3H)-dione', 'Fluoroblastin', 'Kecimeton', 'Carzonal', 'Timazin', 'Arumel', 'Efudix', 'Fluril', '5-Fluoracil', 'Fluracilum', 'Queroplex', 'Ulup', 'Phthoruracil', 'Fluro Uracil', '5-fluoro-1H-pyrimidine-2,4-dione', 'Fluorouracilum', 'Ftoruracil', 'Efurix', 'Fluri', '5-Fluoro-2,4(1H,3H)-pyrimidinedione', '5 Fluorouracil', '5-Fluoropyrimidine-2,4-dione', 'Effluderm (free base)', 'Fluorouracilo', '2,4(1H,3H)-Pyrimidinedione, 5-fluoro-', '2,4-Dihydroxy-5-fluoropyrimidine', '5-fluoropyrimidine-2,4-diol', 'Uracil, 5-fluoro-', '5-Fluoruracil', 'Ro 2-9757', '5-Fluor-2,4-pyrimidindiol', '5-fluoro uracil', '5-Ftouracyl', 'NSC 19893', 'Fluorouracil, 5-', 'NSC-19893', '5-Fluoro-2,4-pyrimidinedione', 'Fluorouracil (Adrucil)', '5-Fluor-2,4-dihydroxypyrimidin', 'U-8953', '5-fluoro-uracil', 'Ro-2-9757', 'UNII-U3P01618RT', '191047-65-1', 'FU', 'CHEMBL185', '2,4-Pyrimidinediol, 5-fluoro- (9CI)', 'MLS000069498', '5FU', 'Fluroblastin', 'Phtoruracil', 'CHEBI:46345', 'Fluoro-uracile', 'Fluoro-uracilo', 'U3P01618RT', 'NSC19893', '2(1H)-Pyrimidinone, 5-fluoro-4-hydroxy- (9CI)', '4(3H)-Pyrimidinone, 5-fluoro-2-hydroxy- (9CI)', '5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione', '5-Faracil', 'Cinco FU', 'MFCD00006018', '191047-64-0', '191115-88-5', 'URF', 'NCGC00015442-02', 'Fluorouracile', 'Effluderm', 'SMR000038082', 'DSSTox_CID_634', 'Fluorouracile [DCIT]', '5-Fluoracil [German]', '5-Fluoracyl', '5-Fluoruracil [German]', 'DSSTox_RID_75705', 'DSSTox_GSID_20634', 'Fluorouracilum [INN-Latin]', 'Fluorouracilo [INN-Spanish]', '5-Fluoropyrimidin-2,4-diol', '2,4-Dioxo-5-fluoropyrimidine', 'Fluorouracil Cream', 'CAS-51-21-8', 'Fluoroplex (TN)', '5-Fluor-2,4-pyrimidindiol [Czech]', 'Adrucil (TN)', '5-fluoro-1,3-dihydropyrimidine-2,4-dione', 'CCRIS 2582', 'Carac (TN)', '5-Fluor-2,4-dihydroxypyrimidin [Czech]', 'HSDB 3228', 'SR-01000075881', '5-Fluor-2,4(1H,3H)-pyrimidindion [Czech]', 'EINECS 200-085-6', '5-Fluor-2,4(1H,3H)-pyrimidindion', 'Fluouracil', 'inhibits thymilidate synthetase', 'Tolak', '2,4-Dioxo-5-fluoropryimidine', '5-fluorourasil', 'AI3-25297', 'Fluoro Uracil', '5-florouracil', '5-fluorouacil', '5-FU (TN)', '5-Fluracil', '1upf', '5F-uracil', 'U 8953', '1-fluoro-1h-pyrimidine-2,4-dione', 'Adrucil (ICN)', 'Adrucil (Fluorouracil)', 'Fluorouracil - Adrucil', 'Fluorouracil [USAN:USP:INN:BAN:JAN]', 'Spectrum_000841', 'ACMC-1ATRK', 'Opera_ID_134', '5-Fluorouracil, 99%', 'Spectrum2_000076', 'Spectrum3_000434', 'Spectrum4_000557', 'Spectrum5_000718', 'WLN: T6MVMVJ EF', 'Lopac-F-6627', 'F0151', 'UPCMLD-DP130', 'EC 200-085-6', 'F 6627', 'SCHEMBL3646', '5-fluorpyrimidin-2,4-diol', 'Lopac0_000536', 'BSPBio_002048', 'KBioGR_001253', 'KBioSS_001321', 'MLS002415705', '5-fluoro-2,4-Pyrimidinediol', 'DivK1c_000054', 'SPECTRUM1500305', 'SPBio_000291', '5 FU', '5-fluoro-2,4-dioxo-pyrimidin', '5-fluoro-pyrimidine-2,4-diol', 'GTPL4789', 'DTXSID2020634', 'UPCMLD-DP130:001', 'Fluorouracil (JP17/USP/INN)', 'HMS500C16', 'KBio1_000054', 'KBio2_001321', 'KBio2_003889', 'KBio2_006457', 'KBio3_001268', '5-Fluoro-2,3H)-pyrimidinedione', '2,4-Pyrimidinedione, 5-fluoro-', 'NINDS_000054', 'BCPP000428', 'HMS1920O18', 'HMS2090I04', 'HMS2091F19', 'HMS3259O03', 'HMS3261L13', 'HMS3654K22', 'HMS3715H03', 'HMS3865L03', 'Pharmakon1600-01500305', '5-Fluorouracil, analytical standard', 'BCP02083', '2,3H)-Pyrimidinedione, 5-fluoro-', 'Fluorouracil (5-Fluoracil, 5-FU)', 'Fluorouracil (5-Fluoracil; 5-FU)', 'Tox21_110150', 'Tox21_202335', 'Tox21_300112', 'Tox21_500536', 'BBL009635', 'BDBM50340677', 'CCG-39879', 'CF0033', 'DL-399', 'NSC757036', 'Ro-29757', 's1209', 'SBB085751', 'STK297802', 'STL367375', 'ZINC38212689', 'AKOS000119162', 'AKOS003237897', 'AKOS008044307', 'Tox21_110150_1', 'BCP9000239', 'CS-0993', 'DB00544', 'KS-5129', 'LP00536', 'LS40596', 'MCULE-6338086431', 'NC00454', 'NSC-757036', 'SDCCGSBI-0050519.P005', 'IDI1_000054', 'NCGC00015442-01', 'NCGC00015442-03', 'NCGC00015442-04', 'NCGC00015442-05', 'NCGC00015442-06', 'NCGC00015442-07', 'NCGC00015442-08', 'NCGC00015442-09', 'NCGC00015442-10', 'NCGC00015442-11', 'NCGC00015442-12', 'NCGC00015442-15', 'NCGC00015442-16', 'NCGC00015442-24', 'NCGC00015442-30', 'NCGC00091349-01', 'NCGC00091349-02', 'NCGC00091349-03', 'NCGC00091349-04', 'NCGC00091349-05', 'NCGC00091349-07', 'NCGC00091349-08', 'NCGC00254023-01', 'NCGC00259884-01', 'NCGC00261221-01', '1004-03-1', '5-Fluoro-2,4-(1H,3H)-pyrimidinedione', 'AC-11201', 'BF166014', 'HY-90006', 'NCI60_001652', 'SRI-10792-04', 'SRI-10792-05', 'SRI-10792-06', 'SRI-10792_07', 'SRI-10792_08', '5-Fluoro-1H-pyrimidine-2,4-dione(5FU)', '5-Fluorouracil, >=99% (HPLC), powder', 'SBI-0050519.P004', '5-Fluoro-1H-pyrimidine-2,4-dione(5-FU)', 'DB-051923', 'DB-065735', '5-Fluoro-1H-pyrimidine-2,4-dione (5-FU)', 'AM20100252', 'EU-0100536', 'FT-0601511', 'FT-0668745', 'FT-0695666', 'FT-0695667', 'FT-0707652', 'ST45025877', 'SW199617-3', '5-Fluoro-1H-pyrimidine-2,4-dione(5-FUra)', 'Fluorouracil, meets USP testing specifications', '51F218', '7375-EP2269989A1', '7375-EP2269994A1', '7375-EP2270008A1', '7375-EP2270018A1', '7375-EP2272827A1', '7375-EP2272832A1', '7375-EP2275102A1', '7375-EP2275412A1', '7375-EP2275413A1', '7375-EP2277876A1', '7375-EP2280012A2', '7375-EP2281563A1', '7375-EP2281815A1', '7375-EP2287156A1', '7375-EP2289892A1', '7375-EP2292233A2', '7375-EP2292614A1', '7375-EP2292615A1', '7375-EP2292617A1', '7375-EP2295416A2', '7375-EP2295426A1', '7375-EP2295427A1', '7375-EP2298748A2', '7375-EP2298768A1', '7375-EP2298772A1', '7375-EP2298780A1', '7375-EP2301928A1', '7375-EP2301933A1', '7375-EP2305219A1', '7375-EP2305243A1', '7375-EP2305640A2', '7375-EP2305642A2', '7375-EP2305671A1', '7375-EP2305689A1', '7375-EP2308833A2', '7375-EP2308839A1', '7375-EP2308855A1', '7375-EP2308861A1', '7375-EP2311807A1', '7375-EP2311808A1', '7375-EP2311825A1', '7375-EP2311827A1', '7375-EP2311829A1', '7375-EP2311840A1', '7375-EP2314590A1', '7375-EP2316459A1', '7375-EP2316831A1', '7375-EP2316834A1', '7375-EP2316974A1', '7375-EP2374454A1', 'C07649', 'D00584', '29507-EP2270008A1', '29507-EP2270505A1', '29507-EP2272827A1', '29507-EP2289892A1', '29507-EP2292234A1', '29507-EP2292617A1', '29507-EP2295426A1', '29507-EP2295427A1', '29507-EP2298305A1', '29507-EP2308861A1', '29507-EP2311842A2', '42164-EP2272827A1', '42164-EP2275420A1', '42164-EP2277565A2', '42164-EP2277566A2', '42164-EP2277567A1', '42164-EP2277568A2', '42164-EP2277569A2', '42164-EP2277570A2', '42164-EP2277876A1', '42164-EP2292280A1', '42164-EP2292614A1', '42164-EP2295412A1', '42164-EP2295413A1', '42164-EP2295416A2', '42164-EP2298748A2', '42164-EP2298764A1', '42164-EP2298765A1', '42164-EP2298778A1', '42164-EP2305642A2', '42164-EP2308833A2', '42164-EP2311808A1', '42164-EP2311829A1', '42164-EP2311840A1', '5-Fluorouracil, Vetec(TM) reagent grade, >=99%', 'Q238512', 'W-60379', '(5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione', '5-Fluoro-1H-pyrimidine-2,4-dione(5-fluoro uracil)', 'SR-01000075881-1', 'SR-01000075881-3', 'SR-01000075881-5', 'W-202929', '5-Fluoro-1H-pyrimidine-2,4-dione (5-Fluorouracil)', 'BRD-K24844714-001-02-1', 'Z275128052', '5-Fluoro-1H-pyrimidine-2,4-dione(5-fluorouracil)(5-FU)', '5-Fluorouracil, certified reference material, TraceCERT(R)', 'Fluorouracil, British Pharmacopoeia (BP) Reference Standard', 'Fluorouracil, European Pharmacopoeia (EP) Reference Standard', 'Fluorouracil, United States Pharmacopeia (USP) Reference Standard', 'pyrimidine antimetabolite: inhibits nucleic acid replication; tetratogen', 'Fluorouracil, Pharmaceutical Secondary Standard; Certified Reference Material'] BMS-265246 Fasudil BRD4770 WP1066 M344 Gandotinib CUDC-101 Alisertib AR-42 Obatoclax Mesylate [16681698, 46930996, 71816154, 16727411, 70700268, 56843157, 56973712, 122362431] Toremifene Citrate Tranylcypromine [19493, 5530, 441233, 26070] Dacinostat Patupilone ['Epothilone B', 'Patupilone', '152044-54-7', '(-)-Epothilone B', 'Epo B', 'Epothilon B', 'EPO 906', 'EPO906', 'EpoB', 'EPO 906A', 'UNII-UEC0H0URSE', 'Patupilone (Epothilone B)', 'GNF-PF-193', 'CHEBI:31550', 'UEC0H0URSE', 'EPO-906', 'MFCD02101921', '(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione', 'Epothilone B (EPO906, Patupilone)', '(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione', '7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE', 'Epothilone-B', '(1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-((1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl)-4,17-dioxabicyclo(14.1.0)heptadecane-5,9-dione', '(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione', 'Patupilone [INN]', 'patupilona', 'patupilonum', 'C27H41NO6S', 'NCGC00181131-01', '2-Methyloctanoicacid', 'Epothilone B(Patupilone)', 'SCHEMBL3808', 'cc-633', 'CHEMBL94657', 'EPO-906A', 'DTXSID4046862', 'CHEBI:94639', 'AOB2930', 'BCPP000100', 'EX-A1244', 'ZINC3951737', 'BDBM50103627', 'LMPK04000041', 'NSC684363', 's1364', 'Patupilone (EPO906, Epothilone B)', 'AKOS015951072', 'CCG-269760', 'CS-0714', 'DB03010', 'NSC-684363', 'NCGC00181131-04', '(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione', '4,17-Dioxabicyclo(1410)heptadecane-5,9-dione, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-((1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl)-, (1S,3S,7S,10R,11S,12S,16R)-', '4,17-Dioxabicyclo(1410)heptadecane-5,9-dione, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-(1-methyl-2-(2-methyl-4-thiazolyl)ethenyl)-, (1S-(1R*,3R*(E),7R*,10S*,11R*,12R*,16S*))-', 'AC-22614', 'HY-17029', 'QC-11859', 'F17412', '150322-43-3 pound not389574-19-0', 'A809247', 'BRD-K48935217-001-01-3', 'Q27093987', '(-)-Epothilone B, from Sorangium cellulosum, >=98% (HPLC)', '(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione', '(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione', '(1S,3S,7S,10R,11S,12S,16R)-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione', '[1S-[1R*,3R*(E),7R*,10S*,11R*,12R*,16S*]]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione'] Abexinostat GSK J1 ['GSK-J1', 'GSK J1', '1373422-53-7', 'GSKJ1', '3-{[2-(pyridin-2-yl)-6-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)pyrimidin-4-yl]amino}propanoic acid', 'C22H23N5O2', '3-[[2-Pyridin-2-Yl-6-(1,2,4,5-Tetrahydro-3-Benzazepin-3-Yl)pyrimidin-4-Yl]amino]propanoic Acid', 'N-[2-(2-Pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-beta-alanine', '3-((2-(Pyridin-2-yl)-6-(1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)pyrimidin-4-yl)amino)propanoic acid', '3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid', 'GSKJ1; GSK-J1', 'MLS006010249', 'GTPL7027', 'CHEMBL3188597', 'Histone demethylase inhibitor J1', 'SCHEMBL10157115', 'BDBM60875', 'AOB3940', 'EX-A571', 'CHEBI:131152', 'BCP08262', 'EX-A1744', '2442AH', 'MFCD22683851', 's7581', 'ZINC95616592', 'AKOS024458240', 'CCG-268518', 'CS-3322', 'GSK-J1, >=98% (HPLC)', 'SB19353', 'NCGC00347943-01', 'NCGC00347943-09', 'AS-16773', 'HY-15648', 'SMR004701325', 'FT-0700180', 'A900433', 'A920905', 'J-007002', 'Q27077924', 'N-[2-(2-Pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-?-alanine', '3-(6-(4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(pyridin-2-yl)pyrimidin-4-ylamino)propanoic acid', 'N-[2-(2-Pyridinyl)-6-(1,2,4,5-tetra hydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-beta-alanin e', 'N-[2-(2-Pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4- pyrimidinyl]-beta-alanine', 'N-[2-(pyridin-2-yl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)pyrimidin-4-yl]-beta-alanine'] Selisistat ['49843-98-3', 'Selisistat', '6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide', 'EX-527', 'EX 527', 'SEN0014196', 'EX527', 'SIRT1 Inhibitor III', 'EX 527 (Selisistat)', 'CHEMBL420311', 'CHEBI:90369', '1H-Carbazole-1-carboxamide, 6-chloro-2,3,4,9-tetrahydro-', 'rac-6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide', 'EX-527 (S-enantiomer)', 'Selisistat [INN]', 'EX 527 (SEN0014196)', '6-chloro-1,2,3,4,9-pentahydro-4aH-carbazolecarboxamide', 'SEN-0014196', 'EX-527(Selisistat)', 'Cambridge id 6859180', 'Oprea1_353257', 'Oprea1_367943', 'MLS006011757', 'GTPL8100', 'SCHEMBL1275557', 'EX-527 (SELISISTAT)', 'AOB2079', 'DTXSID10964442', 'QCR-195', 'HMS3426E09', 'HMS3654P22', 'HMS3743I17', 'HMS3747M05', 'HMS3884K19', '6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide, racemic', 'BCP02889', 'EX-A1064', 'BDBM50178769', 'MFCD03009471', 's1541', 'SBB014468', 'STK522511', 'AKOS002364303', 'BCP9000673', 'CCG-208710', 'CS-0960', 'DB13978', 'MCULE-2491423827', 'SB16664', 'EX 527,SEN0014196', 'NCGC00242458-01', 'AC-32746', 'HY-15452', 'SMR004703473', 'ST082785', 'BCP0726000108', 'AB0033787', 'DB-082965', 'EX-527, >=98% (HPLC)', 'FT-0698480', 'SW218147-2', 'X7534', 'A21392', 'AB00121519-01', 'SR-01000501008', 'SR-01000501008-1', 'BRD-A73908300-001-04-2', 'Q27088776', '6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboximidic acid', '(+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide', '6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid, amide'] Capecitabine ['CAPECITABINE', '154361-50-9', 'Xeloda', 'Capiibine', 'Capecitibine', "5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine", 'Captabin', 'Ro 09-1978', 'Ro 09-1978/000', 'C15H22FN3O6', 'Pentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate', 'UNII-6804DJ8Z9U', "Cytidine, 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]-", 'Pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate', "5'-Deoxy-5-fluoro-N-((pentyloxy)carbonyl)cytidine", 'pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate', 'CHEBI:31348', '6804DJ8Z9U', '(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester', 'pentyl N-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl}carbamate', 'Capecitabin', 'Caxeta', 'Xabine', 'Ro-091978000', 'DSSTox_CID_26451', 'DSSTox_RID_81625', 'Pentyl [1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]carbamate', 'DSSTox_GSID_46451', 'pentyl 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-ylcarbamate', "Cytidine, 5'-deoxy-5-fluoro-N-((pentyloxy)carbonyl)-", 'capecitabina', 'capecitabinum', 'Capecitabine (Xeloda)', 'SMR002530052', 'Xeloda (TN)', 'CAS-154361-50-9', "N(4)-Pentyloxycarbonyl-5'-deoxy-5-fluorocytidine", 'Cpecitabine', 'HSDB 7656', 'NCGC00164569-01', 'Capecitabine [USAN:USP:INN:BAN]', 'RG-340', 'Capecitabine- Bio-X', 'Carbamic acid, (1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-, pentyl ester', 'Ro-09-1978', 'R-340', 'SCHEMBL8153', 'CHEMBL1773', 'cc-330', 'MLS003915642', 'MLS004774137', 'Capecitabine (JAN/USP/INN)', 'GTPL6799', 'DTXSID3046451', 'Capecitabine, analytical standard', 'Capecitabine, >=98% (HPLC)', 'EX-A835', 'BCPP000300', 'HY-B0016', 'ZINC3806413', 'Tox21_112198', 'CC0143', 's1156', 'AKOS015920130', 'Tox21_112198_1', 'AM84502', 'BCP9000483', 'BS-1000', 'CCG-264841', 'CS-0768', 'DB01101', 'MCULE-2851259722', 'NSC 759853', 'NCGC00164569-02', 'NCGC00164569-05', 'BC164277', '3-(2-HYDROXYETHYL)THIAZOLIUMBROMIDE', 'AB0068959', 'RO-9-1978', 'Ro-09-1978-000', 'D01223', "n4-pentyloxycarbonyl-5'-deoxy-5-fluorocytidine", 'AB01274776-01', 'AB01274776-02', 'AB01274776_04', 'RO-09-1978000', '361C509', "5'-deoxy-5-fluoro-N4-(pentyloxycarbonyl)cytidine", '5-Deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine', 'Q420207', 'SR-01000931255', '5-Deoxy-5-fluoro-N4-[(pentyloxy)carbonyl]cytidine', 'J-700154', 'Q-200788', 'SR-01000931255-3', 'BRD-K61192372-001-08-9', 'Z1741971721', 'Capecitabine, European Pharmacopoeia (EP) Reference Standard', 'Capecitabine, United States Pharmacopeia (USP) Reference Standard', 'Capecitabine, Pharmaceutical Secondary Standard; Certified Reference Material', '958887-39-3'] Ellagic acid INO-1001 oh no, nothing found for INO-1001 Streptozotocin [29327, 5300, 2733335, 45357367, 6420074, 7067772, 6713972] RG108 Tacedinaline Ofloxacin FLLL32 AG-490 ['133550-30-8', 'AG-490', 'Tyrphostin B42', 'AG 490', 'Tyrphostin AG 490', 'AG490', '(E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)acrylamide', 'Tyrphostin AG490', 'tyrphostin AG-490', 'AG-490 (Tyrphostin B42)', '(E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide', 'N-Benzyl-2-cyano-3-(3,4-dihydroxyphenyl)acrylamide', 'alpha-Cyano-(3,4-dihydroxy)-N-benzylcinnamide', '134036-52-5', '(2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide', 'CHEMBL56543', 'SMR001230665', 'SR-01000076153', 'MFCD00236452', 'n-benzyl-3,4-dihydroxy-benzylidenecyanoacetamide', 'Tyrphostin,AG490', 'xy-phenyl)-acrylamide', 'Tocris-0414', 'Tyrphostin deriv. 42', 'BiomolKI_000025', 'Lopac-T-3434', 'BiomolKI2_000033', 'Tyrphostin AG 490, solid', 'Lopac0_001166', 'SCHEMBL93682', 'BMK1-D1', 'BSPBio_001396', 'cc-365', 'MLS002153172', 'MLS006011256', 'BDBM4313', 'GTPL5916', 'DTXSID5040960', 'AOB6474', 'EX-A118', 'EX-A464', 'CHEBI:131968', 'BCPP000424', 'HMS1361F18', 'HMS1791F18', 'HMS1989F18', 'HMS2231N13', 'HMS3229M15', 'HMS3402F18', 'HMS3414G11', 'HMS3678G11', 'ZINC2557947', 'EI-272', 's1143', 'SBB063097', 'ZINC02557947', '(2E)-2-CYANO-3-(3,4-DIHYDROXYPHENYL)-N-(PHENYLMETHYL)-2-PROPENAMIDE', 'AKOS015888137', 'BCP9000246', 'CCG-100629', 'LP01166', 'QC-8950', 'SDCCGSBI-0051133.P003', 'IDI1_033866', 'SMP2_000154', 'NCGC00016014-01', 'NCGC00016014-02', 'NCGC00016014-03', 'NCGC00016014-04', 'NCGC00016014-05', 'NCGC00016014-06', 'NCGC00016014-07', 'NCGC00016014-09', 'NCGC00016014-10', 'NCGC00024576-01', 'NCGC00024576-02', 'NCGC00024576-03', 'NCGC00024576-04', 'NCGC00024576-05', 'NCGC00024576-06', 'BS-15205', '(E)-N-Benzyl-2-cyano-3-(3,4-dihydro', 'EU-0101166', 'SW219272-1', 'T2962', 'X7479', 'EC-000.2082', 'C72336', 'T 3434', 'alpha-Cyano-(3,4-dihydroxy)-N-benzylcinnamamide', 'J-500741', 'SR-01000076153-1', 'SR-01000076153-3', 'BRD-K47105409-001-05-3', 'Q27074341', '(2E)-3-(3,4-dihydroxyphenyl)-2-cyano-N-benzylprop-2-enamide', '(E)-N-Benzyl-2-cyano-3-(3,4-dihydroxyphenyl)acrylamideAG 490', '2-Propenamide,2-cyano-3-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-', '(E)-2-CYANO-3-(3,4-DIHYDROPHENYL)-N-(PHENYLMETHYL)-2-PROPENAMIDE'] Altretamine Sirtinol KW-2449 UNC1999 UNC0631 Lapatinib MK-5108 Valproic acid sodium salt ['Sodium valproate', 'Sodium 2-propylpentanoate', '1069-66-5', 'Valproate sodium', 'Valproic acid sodium salt', 'Valproic acid sodium', 'Epilim', 'Valproic Acid (sodium salt)', 'Pentanoic acid, 2-propyl-, sodium salt', 'Sodium 2-propylvalerate', '2-Propylvaleric acid sodium salt', 'Valerin', '2-Propylpentanoic acid sodium salt', 'UNII-5VOM6GYJ0D', 'Valproic acid sodium salt (1:1)', 'Valproic Acid, Sodium Salt', '2-propylpentanoic acid sodium', 'Valproate', 'Valproic acid sodium salt (Sodium valproate)', 'sodium;2-propylpentanoate', 'MFCD00078604', '5VOM6GYJ0D', 'Abbott 44090', 'CHEBI:9925', 'Eurekene', 'Labazene', 'Orfiril', 'DEPACON', 'Depakene (TN)', 'Natrium valproat', 'Dipropylacetate sodium', 'Sodium dipropylacetate', 'Sodium valproate (2-Propylpentanoic acid, sodium salt)', 'Sodium bispropylacetate', 'CHEMBL433', 'Valproinsaeure, natrium', 'Sodium n-dipropylacetate', 'SMR000875243', 'Sodium 2-n-propyl-pentanoate', 'KW 6066N', 'EINECS 213-961-8', 'Valeric acid, 2-propyl-, sodium salt', '2-Propylpentanoic Acid, Na', 'Valproate sodium [USAN:USP]', 'A-44090', 'Selenica (TN)', 'Lopac-P-4543', 'Valproate sodium (USAN)', 'Sodium valproate (JP17)', 'DSSTox_CID_17072', 'DSSTox_RID_79301', 'DSSTox_GSID_37072', 'SCHEMBL35027', 'MLS001332431', 'MLS001332432', 'MLS002153189', 'SPECTRUM1500606', 'ABBOTT-44090', 'DTXSID5037072', 'HMS500N15', 'Valproic acid sodium salt, 98%', 'HMS1921I21', 'HMS2092C12', 'HMS2230E16', 'HMS3262B20', 'HMS3369L11', 'HMS3648A12', 'HMS3654I14', 'HMS3872G13', 'HMS3884E05', 'BCP02888', 'KW-6066N', 'Tox21_302623', 'Tox21_500889', 'CCG-40071', 'HY-10585A', 's1168', 'AKOS005066057', 'AC-8391', 'CCG-208088', 'CCG-266330', 'CS-1764', 'LP00889', 'NSC 732626', 'NSC 757376', 'NCGC00016192-01', 'NCGC00016192-02', 'NCGC00016192-03', 'NCGC00016192-04', 'NCGC00094208-01', 'NCGC00094208-02', 'NCGC00094208-03', 'NCGC00167849-01', 'NCGC00256651-01', 'NCGC00261574-01', 'AS-13150', 'H456', 'SY058189', 'BCP0726000316', 'CAS-1069-66-5', 'AB0013058', 'DB-059527', 'EU-0100889', 'FT-0633278', 'S0894', 'SW219169-2', 'D00710', 'H11308', 'P 4543', 'Pentanoic acid, 2-propyl-, sodium salt (1:1)', 'Valproic Acid, Sodium Salt - CAS 1069-66-5', 'Q-201918', 'Q4347890', 'Sodium valproate, British Pharmacopoeia (BP) Reference Standard', 'Sodium valproate, European Pharmacopoeia (EP) Reference Standard'] AC480 ['BMS-599626', '714971-09-2', 'AC480', 'AC-480', 'BMS 599626', '(S)-Morpholin-3-ylmethyl (4-((1-(3-fluorobenzyl)-1H-indazol-5-yl)amino)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate', 'BMS599626', 'AC480 (BMS-599626)', 'UNII-2252724U5N', 'CHEMBL1645462', '2252724U5N', 'C27H27FN8O3', '[(3S)-morpholin-3-yl]methyl N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate', 'AC1480 (free base)', 'cc-393', 'GTPL7647', 'SCHEMBL12065349', 'AOB5594', 'DTXSID60221714', 'SYN1142', 'EX-A2296', 'ZINC6717782', 'BDBM50333373', 'C27H44O11', 'MFCD10565678', 'NSC764135', 'NSC799323', 's1056', 'AKOS015999853', 'BCP9000428', 'CCG-269915', 'CS-0407', 'DB12318', 'NSC-764135', 'NSC-799323', 'NCGC00346483-01', 'NCGC00346483-05', 'NCGC00346483-11', 'AC-32830', 'AS-16281', 'Carbamic acid, N-(4-((1-((3-fluorophenyl)methyl)-1H-indazol-5-yl)amino)-5-methylpyrrolo(2,1-F)(1,2,4)triazin-6-yl)-, (3S)-3-morpholinylmethyl ester', 'HY-10251', 'BMS-599626 (AC480)', 'X7467', 'Y0348', 'BMS-599626, >=98% (HPLC)', 'J-502499', 'J-519990', 'Q27075357', '1,2,3,4-Tetra-O-pivaloyl-??-D-glucopyranuronic acid methyl ester', '(S)-morpholin-3-ylmethyl 4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-ylcarbamate', '(S)-morpholin-3-ylmethyl 4-(3-(4-fluorobenzyl)-1H-indazol-6-ylamino)pyrrolo[1,2-f][1,2,4]triazin-6-ylcarbamate', '(S)-morpholin-3-ylmethyl(4-((1-(3-fluorobenzyl)-1H-indazol-5-yl)amino)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate', '(S)-morpholin-3-ylmethyl-4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-ylcarbamate', '[(3S)-Morpholin-3-yl]methyl N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate', '[4-[[1-(3-Fluorobenzyl)-1H-indazole-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-yl]carbamic acid [(3S)-morpholine-3-yl]methyl ester', '[4-[[1-(3-fluorophenyl)methyl]-1H-indazol-5-ylamino]-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl]-carbamic acid', 'Carbamic acid, [4-[[1-[(3-Fluorophenyl)methyl]-1h-indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]-, (3s)-3-morpholiny lmethyl ester'] Bisindolylmaleimide IX ['ro 31-8220', 'bisindolylmaleimide IX', '125314-64-9', 'Ro31-8220', 'Ro-31-8220', 'Ro 31 8220', 'Ro 318220', 'UNII-W9A0B5E78O', 'Ro-318220', 'CHEMBL6291', '3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate', 'W9A0B5E78O', 'CHEBI:38912', '3-{3-[4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indol-1-yl}propyl carbamimidothioate', 'Ro?31-8220?', '3-{3-[4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indol-1-yl}propyl imidothiocarbamate', 'Ro 31-8220 methanesulfonate;Bisindolylmaleimide IX mesylate', 'CHEMBL1591531', 'bisindolymaleimide IX', 'BiomolKI_000033', '3-(3-(4-(1-methyl-1h-indol-3-yl)-2,5-dioxo-2,5-dihydro-1h-pyrrol-3-yl)-1h-indol-1-yl)propyl carbamimidothioate', 'DRN', 'ACMC-20mrgw', 'bisindolylmaleimide-IX', 'Bisindolylmaleimide 11b', '3-[1-[3-(Amidinothio)propyl-1H-indol-3-yl]-3-(1-methyl-1H-indol-3-yl)maleimide', 'BiomolKI2_000041', 'BIM-9', 'BSPBio_001077', 'KBioGR_000417', 'KBioSS_000417', 'BDBM3175', 'GTPL5259', 'SCHEMBL1567017', 'KBio2_000417', 'KBio2_002985', 'KBio2_005553', 'KBio3_000793', 'KBio3_000794', 'DTXSID20154736', 'EX-A384', 'Bio2_000369', 'Bio2_000849', 'HMS1792E19', 'HMS1990E19', 'HMS3401B10', 'HMS3403E19', 'HMS3673M03', 'BCP13149', 'ZINC3797930', 'BDBM50400734', 'EI-283', 'HY-13866A', 'NSC767237', 'CCG-100637', 'CS-1678', 'NSC-767237', 'IDI1_002124', 'NCGC00092293-02', 'NCGC00092293-03', 'NCGC00092293-04', 'NCGC00092293-05', 'NCGC00092293-15', 'AC-33051', 'Carbamimidothioic acid, 3-(3-(2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl)-1H-indol-1-yl)propyl ester', 'Carbamimidothioic acid,3-[3-[2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl]-1H-indol-1-yl]propylester', 'Ro 318220 & Z-100', 'Q7339195', 'BRD-K06543683-001-04-4', 'BRD-K06543683-066-01-3', 'Ro-31-8220 - CAS 138489-18-6', '2-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxo-pyrrol-3-yl]indol-1-yl]propyl]isothiourea', '2-{1-[3-(amidinothio)propyl]-1h-indol-3-yl}-3-(1-methylindol-3-yl)maleimide', '3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propylsulfanylmethanimidamide', '[(3-{3-[4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indol-1-yl}propyl)sulfanyl]methanimidamide', '3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methyl-3-indolyl)-1H-pyrrole-2,5-dione Methanesulfonate', 'Carbamimidothioic acid, 3-[3-[2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl]-1H-indol-1-yl]propyl ester & Z-100'] Tazemetostat ENMD-2076 L-(+)-Tartaric acid ['ENMD-2076 L-(+)-Tartaric acid', 'UNII-KXQ762CQTH', 'ENMD-2076 tartrate', 'KXQ762CQTH', '1291074-87-7', 'ENMD-2076 Tartrate', '1453868-32-0 (tartrate)', 'ENMD2076', '1453868-32-0', 'ENMD-981693', '(E)-N-(5-methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-styrylpyrimidin-4-amine (2R,3R)-2,3-dihydroxysuccinate', 'enmd-2076-l-tartaric-acid', 'SCHEMBL15239835', 'C21H25N7.C4H6O6', 'C25H31N7O6', '(2R,3R)-2,3-dihydroxybutanedioic acid;6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine', '2396AH', 'MFCD18074523', 's2018', 'CCG-269887', 'L-(+) Tartrate salt of ENMD-981693', 'X7387', 'Q27895339', '4-Pyrimidinamine, 6-(4-methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-((1E)-2-phenylethenyl)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)', '6-(4-Methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(1E)-2-phenylethenyl]-4-pyrimidinamine L-Tartrate', '6-(4-Methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]-4-pyrimidinamine'] ZM 447439 ['331771-20-1', 'ZM-447439', 'ZM447439', 'ZM 447439', 'N-[4-[[6-METHOXY-7-[3-(4-MORPHOLINYL)PROPOXY]-4-QUINAZOLINYL]AMINO]PHENYL]BENZAMIDE', 'TCMDC-125873', 'UNII-RSN3P9776R', 'N-(4-((6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-yl)amino)phenyl)benzamide', 'CHEMBL202721', 'RSN3P9776R', 'C29H31N5O4', 'N-[4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)phenyl]benzamide', 'N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide', 'N-(4-{[6-Methoxy-7-(3-Morpholin-4-Ylpropoxy)quinazolin-4-Yl]amino}phenyl)benzamide', 'N-[4-[[6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-yl]amino]phenyl]benzamide', 'N-(4-((6-methoxy-7-(3-(4-morpholinyl)propoxy)-4-quinazolinyl)amino)phenyl)benzamide', 'Kinome_3319', 'NCGC00159574-01', 'cc-90', 'MLS006010133', 'SCHEMBL597105', 'GTPL8353', 'BDBM14210', 'CHEBI:91376', 'AOB2181', 'DTXSID00186833', 'BCPP000002', 'HMS3269E21', 'HMS3295A17', 'HMS3413O12', 'HMS3654I21', 'HMS3677O12', 'BCP02615', 'EX-A2276', 's1103', 'ZINC22067501', 'AKOS015919490', 'AC-8444', 'CCG-269800', 'CS-0009', 'SB19303', 'Benzamide, N-(4-((6-methoxy-7-(3-(4-morpholinyl)propoxy)-4-quinazolinyl)amino)phenyl)-', 'NCGC00159574-02', 'NCGC00159574-09', 'AS-16711', 'HY-10128', 'SMR004701259', 'AB0024259', 'FT-0660514', 'SW220282-1', 'W5489', 'EC-000.2367', 'A23228', 'C74700', '771M201', 'ZM447439 (ZM-447439)', 'J-019068', 'J-523340', 'Q8063129', 'BRD-K72703948-001-01-0', 'BRD-K72703948-001-02-8', '4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-morpholino)propoxy)-quinazoline', 'N-(4-(6-Methoxy-7(3-morpholinepropoxy)quinazolin-4-ylamino)phenyl)benzamide', 'N-(4-(6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-ylamino)phenyl)benzamide', 'N-[4-[[6-Methoxy-7-[3-(4-morpholiny l)propoxy]-4-quinazolinyl]amino]phenyl]benzamide', 'N-{4-[6-Methoxy-7-(3-morpholin-4-yl-propoxy)-quinazolin-4-ylamino]-phenyl}-benzamide', 'Benzamide, N-?[4-?[[6-?methoxy-?7-?[3-?(4-?morpholinyl)?propoxy]?-?4-?quinazolinyl]?amino]?phenyl]?-'] Ki16425 Decitabine BMS-754807 2-Methoxyestradiol Navitoclax Mocetinostat Pracinostat Trichostatin A ABT-737 Motesanib Diphosphate Veliparib Cimetidine ['cimetidine', '51481-61-9', 'Tagamet', 'Eureceptor', 'Tametin', 'Dyspamet', 'Ulcedine', 'Acinil', 'Cimetag', 'Tratul', 'Ulcedin', 'Acibilin', 'Gastromet', 'Cimetum', 'Edalene', 'Ulcimet', 'Ulcomet', 'Cimal', 'Ulhys', 'Tagamet Hb', 'Cimetidine Hcl', 'Tagamet Hb 200', 'SKF-92334', 'Cimetidina', 'Ulcomedina', 'Valmagen', 'Cimetidinum', 'SKF 92334', '1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine', "N-Cyano-N'-methyl-N''-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]guanidine", '2-Cyano-1-methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)guanidine', '1-Cyano-2-methyl-3-(2-(((5-methyl-4-imidazolyl)methyl)thio)ethyl)guanidine', 'UNII-80061L1WGD', 'CHEBI:3699', 'C10H16N6S', "N-Cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)guanidine", 'CHEMBL30', 'Metracin', 'MFCD00133296', 'NSC-335308', 'Brumetadina', '2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine', 'MLS000069791', '76181-71-0', 'Gastrobitan', 'Ulcestop', 'Ulcofalk', 'Evicer', 'Peptol', '80061L1WGD', '51481-61-9 (free)', "Guanidine, N-cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)-", "Guanidine, N-cyano-N'-methyl-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-", "Guanidine, N-cyano-N'-Methyl-N''-[2-[[(5-Methyl-1H-iMidazol-4-yl)Methyl]thio]ethyl]-, (Z)-", 'NSC 335308', 'NCGC00015240-06', 'SMR000038895', 'DSSTox_CID_329', '2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine', 'DSSTox_RID_75517', "N''-cyano-N-methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine", "N-cyano-N'-methyl-N''-(2-([(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl)ethyl)guanidine", 'Cimetidinum [INN-Latin]', 'DSSTox_GSID_20329', 'Cimetidina [INN-Spanish]', 'Brumetidina', 'DRG-0150', '(E)-2-cyano-1-methyl-3-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)guanidine', '(Z)-3-cyano-1-methyl-2-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine', '1-cyano-2-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine', '2-cyano-1-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine', "Guanidine, N''-cyano-N-methyl-N'-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)-", "Guanidine, N''-cyano-N-methyl-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-", 'Tagamet (TN)', 'Cimetidine, A Type', 'CCRIS 3247', 'Equaline acid reducer', 'HSDB 3917', 'Topcare heartburn relief', 'SR-01000075260', 'SR-05000001434', 'FPF 1002', 'EINECS 257-232-2', 'cemitidine', 'metidine', '1-cyano-2-methyl-3-(2-((5-methyl-1H-imidazol-4-yl)methylthio)ethyl)guanidine', '1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine', 'Cimetidine,(S)', 'Prestwick_65', '{(1E)-1-(methylamino)-4-[(4-methylimidazol-5-yl)methylthio]-2-azabut-1-enyl}am inocarbonitrile', 'Cimetidine (Tagamet)', 'Cimetidine [USAN:USP:INN:BAN:JAN]', 'CIMETIDINE A', 'Spectrum_000495', 'Tocris-0902', 'Opera_ID_314', 'Prestwick3_000026', 'Spectrum2_000782', 'Spectrum3_001389', 'Spectrum4_000812', 'Spectrum5_001541', 'Lopac-C-4522', 'UPCMLD-DP029', '2-Cyano-1-methyl-3-[2-(5-methyl-1H-imidazol-4-yl-methylthio)ethyl]guanidine', 'C 4522', 'SCHEMBL1093', 'SCHEMBL1094', 'SKF-92334; Tagamet', "Guanidine, N-cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio) ethyl)-", 'Lopac0_000293', 'BSPBio_000091', 'BSPBio_002978', 'KBioGR_001323', 'KBioSS_000975', 'US9138393, Cimetidine', 'US9144538, Cimetidine', 'MLS001148596', 'MLS002153265', 'MLS002154178', 'DivK1c_000166', 'SPECTRUM1500684', 'SPBio_000884', 'BPBio1_000101', 'Cimetidine (JP17/USP/INN)', 'GTPL1231', 'DTXSID4020329', 'SCHEMBL11282982', 'UPCMLD-DP029:001', 'BDBM22889', 'HMS500I08', 'KBio1_000166', 'KBio2_000975', 'KBio2_003543', 'KBio2_006111', 'KBio3_002198', 'NINDS_000166', 'BDBM181119', 'HMS1921C14', 'HMS2089O03', 'HMS2092I14', 'HMS2095E13', 'HMS2232F16', 'HMS3259M15', 'HMS3260L08', 'HMS3267A03', 'HMS3369L10', 'HMS3414I17', 'HMS3651E21', 'HMS3678I17', 'HMS3712E13', 'HMS3750I05', 'HMS3884I12', 'Pharmakon1600-01500684', 'Cimetidine 1.0 mg/ml in Methanol', 'EX-A1088', 'Tox21_110106', 'Tox21_201160', 'Tox21_500293', 'BDBM50103595', 'BDBM50403559', 'CCG-40160', 'NSC335308', 'NSC757428', 's1845', 'SBB057794', 'STK528249', 'ZINC18115268', '1-Cyano-2-methyl-3-[2-[[(5-methylimidazol-4-yl)methyl]thio]ethyl]guanidine', 'AKOS005460997', 'AKOS015900557', 'AKOS015951369', 'AKOS016003398', 'AKOS016340377', 'AKOS026749950', 'AKOS032949548', 'Tox21_110106_1', 'AB03708', 'AC-8100', 'CCG-204388', 'CCG-220026', 'CCG-221597', 'DB00501', 'KS-5087', 'LP00293', 'MCULE-2885245608', 'NC00501', 'NSC 757428', 'NSC-757428', 'SDCCGSBI-0050281.P005', 'IDI1_000166', "N''-cyano-N-methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine", "N''-Cyano-N-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine", "N-Cyano-N'-methyl-[2-[[[5-methyl-1H-imidazol-4-yl]methyl]thio]ethyl]guanidine", 'NCGC00015240-01', 'NCGC00015240-02', 'NCGC00015240-03', 'NCGC00015240-04', 'NCGC00015240-05', 'NCGC00015240-07', 'NCGC00024859-01', 'NCGC00024859-02', 'NCGC00024859-03', 'NCGC00024859-04', 'NCGC00024859-05', 'NCGC00091439-01', 'NCGC00091439-02', 'NCGC00091439-03', 'NCGC00091439-04', 'NCGC00091439-05', 'NCGC00091439-07', 'NCGC00091439-10', 'NCGC00185989-01', 'NCGC00188961-01', 'NCGC00258712-01', 'NCGC00260978-01', '2984-61-4', '943920-67-0', 'Cimetidine 100 microg/mL in Acetonitrile', 'H505', 'HY-14289', 'NCI60_002936', 'SBI-0050281.P004', 'AB0013083', 'DB-051971', 'EU-0100293', 'FT-0602955', 'ST50411770', 'SW196380-2', 'C06952', 'D00295', 'F16651', 'J10340', 'AB00052157-03', 'AB00052157_04', 'AB00052157_05', '481C619', 'A828616', 'L000186', 'L003827', 'L013434', 'Q409492', 'SR-05000001750', 'Q-200855', 'Q-200856', 'SR-01000075260-1', 'SR-01000075260-3', 'SR-05000001434-1', 'SR-05000001434-2', 'SR-05000001750-1', 'BRD-K18618618-001-01-6', 'BRD-K34157611-001-04-6', 'BRD-K34157611-001-07-9', 'Z1259192068', 'Cimetidine, European Pharmacopoeia (EP) Reference Standard', "4H -Dithieno[3,2-b :2',3'-d ]pyrrole, 4-(1-octylnonyl)-", 'Cimetidine, United States Pharmacopeia (USP) Reference Standard', '1-Ethyl-2,3-dimethylimidazolium tosylate, 98% [EDiMIM] [TOS]', '1-Cyan-2-methyl-3-(2-{[(5-methylimidazol-4-yl)methyl]thio}ethyl)guanidin', 'Cimetidine, Pharmaceutical Secondary Standard; Certified Reference Material', 'N"-cyano-N-methyl-N\'-[2-(5-methylimidazol-4-ylmethylthio)ethyl]-guanidine', 'N"-cyano-N-methyl-N\'-[2-(5-methylimidazol-4-ylmethylthio)ethyl]guanidine', 'N-cyano-N\'-methyl-N"-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]guanidine', 'N-cyano-N\'-methyl-N"-[2-((5-methyl-4-imidazolyl)methylthio)ethyl]guanidine', 'N-cyano-N\'-methyl-N"-[2-(5-methyl-4-imidazolylmethylthio)ethyl]guanidine', '(Z)-1-cyano-2-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine', '2-Chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-benzenesulfonamide(Cimetidine)', '2-Methyl-8-phenethyl-imidazo[1,2-a]pyridine-3-carboxylic acid methyl ester(cimetidine)', '2-methylamino-2-[2-(4-methyl-1H-5-imidazolylmethylsulfanyl)ethylamino]-(E)-1-imino cyanide', '3-cyano-2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine', '4-(((2-(((cyanoamino)(methylamino)methylene)amino)ethyl)thio)methyl)-5-methyl-1H-imidazole', 'Cimetidine for peak identification, European Pharmacopoeia (EP) Reference Standard', 'Cimetidine for system suitability, European Pharmacopoeia (EP) Reference Standard', "Guanidine, N-cyano-N'-methyl-N''-[2-[[5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-", "N''-cyano-N-methyl-N'-(2-((5-methyl-1h-imidazol-4-yl)-methylthio)ethyl)guanidine", 'N-cyano-N\'-methyl-N"- [2-((5-methyl-4-imidazolyl)methylthio)ethyl]guanidine', 'N-cyano-N\'-methyl-N"-[2-((4-methyl-5-imidazolyl) methylthio)ethyl]guanidine', 'N-cyano-N\'-methyl-N"-[2-((4-methyl-5-imidazolyl)- methylthio)ethyl]guanidine', 'N-cyano-N\'-methyl-N"-[2-((4-methyl-5-imidazolyl)-methylthio)ethyl]guanidine', 'N-cyano-N\'-methyl-N"-[2-((4-methyl-5-imidazolyl)methyl-thio)ethyl]guanidine', 'N-cyano-N\'-methyl-N"-[2-((4-methyl-5-imidazolyl)methylthio)ethyl) guanidine', 'N-cyano-N\'-methyl-N"-[2-((5-methyl-4-imidazolyl)methylthio)-ethyl]guanidine', 'N-cyano-N\'-methyl-N"-[2-((5-methyl-4-imidazolyl)methylthio)ethyl]-guanidine', 'N-cyano-N\'-methyl-N"-[2-{(5-methyl-1H-imidazol-4-yl)methylthio}ethyl]guanidine', "N-Cyano-N'-methyl-N''-(2-([(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl)ethyl)guanidine #", "N-Cyano-N'-methyl-N''-[2-[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]guanidine", "N-cyano-N'-methyl-N''-[2-[[(5-methylimidazol-4-yl]methyl]thio]ethyl)guanidine", 'N-cyano-N\'-methyl-N-"-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]guanidine', 'N-methyl-N\'-{2-[(5-methylimidazol-4-yl)-methylthio]-ethyl}-N"-cyanoguanidine', 'N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]-1-cyanoiminomethanediamine', 'N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]imino(-N-cyano)methanediaminem', "N-tert-Butyl-N''''''''-[4-(1H-imidazol-4-yl)-phenyl]-formamidine(cimetidine)", "(Cimetidine) N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine,cyanide", '(cimetidine) N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine', '(Cimetidine)N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanomethyliminomethanediamine', '2-methylamino-2-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethylamino]-(Z)-1-imino cyanide(cimetidine)', "Guanidine,N-cyano-N'-Methyl-N''-[2-[[(5-Methyl-1H-iMidazol-4-yl)Methyl]thio]ethyl]-,(Z)-", "N''''''''''''''''''''''''''''''''-cyano-N-methyl-N''''''''''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine", "N''''''''''''''''-cyano-N-methyl-N''''''''-({[(5-methyl-1H-imidazol-4-yl)methyl]thio}methyl)guanidine(cimetidine)", "N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]-lambda~4~-sulfanyl}ethyl)guanidine", "N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine", "N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine (Cimetidine)", "N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine(cimetidine)", "N-Cyano-N''''''''-methyl-N''''''''''''''''-(2-(((5-methyl-1H-imidazol-4-yl) methyl)thio)ethyl)guanidine(Cimetidine)", "N-cyanomethyl-N''''''''-methyl-N''''''''''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine ( Cimetidine)", "N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-cyanoguanidine(cimetidine)", "N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-N''''''''''''''''-Cyano-guanidine", "N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-N''''''''''''''''-cyano-guanidine(Cimetidine)", "N-methyl-N''''''''-cyano-N''''''''''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine", 'N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine (cimetidine)'] XAV-939 ['284028-89-3', 'XAV-939', 'XAV939', 'XAV 939', '3,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one', '2-[4-(trifluoromethyl)phenyl]-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one', 'CHEBI:62878', 'CID 2726824', 'C14H11F3N2OS', 'CHEMBL1086580', '2-(4-(trifluoromethyl)phenyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol', 'MFCD16879017', '2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiino[4,3-d]pyrimidin-4-ol', '2-[4-(Trifluoromethyl)phenyl]-7,8-Dihydro-5h-Thiopyrano[4,3-D]pyrimidin-4-Ol', 'NVP-XAV-939', '2-(4-(trifluoromethyl)phenyl)-7,8-dihydro-3H-thiopyrano[4,3-d]pyrimidin-4(5H)-one', 'NVP-XAV 939', 'XAV', '3kr8', '3uh4', 'Maybridge3_005018', 'NVP-XAV939', 'cc-343', 'MLS006012021', 'SCHEMBL7783488', 'TB3748-GMP', 'SCHEMBL15315468', 'AOB4150', 'DTXSID60369423', 'XAV939,XAV-939', 'BCPP000009', 'HMS1445E02', 'HMS3414D07', 'HMS3648B17', 'HMS3654O16', 'HMS3678D07', 'HMS3743E05', 'BCP02128', 'EX-A1760', 'BDBM50188594', 'BDBM50318567', 'NSC755761', 's1180', 'ZINC13467799', 'AKOS015954858', 'AKOS024457786', 'AKOS026750243', 'CCG-208105', 'CS-0494', 'MCULE-6143908878', 'NSC-755761', 'SB19432', 'IDI1_016405', 'NCGC00250397-01', 'NCGC00484998-01', 'AC-28393', 'CS-10386', 'HY-15147', 'SMR003874205', 'XAV939, >=98% (HPLC)', 'DB-067924', 'FT-0675873', 'SW218311-2', 'X7558', 'A25698', 'SR-01000946403', 'J-511234', 'SR-01000946403-1', 'BRD-K12762134-001-01-3', 'BRD-K12762134-001-05-4', 'Q27132250', '6,8-Dihydro-2-[4-(trifluoromethyl)phenyl]-5H-thiopyrano[3,4-d]pyrimidine', '2-(4-(trifluoromethyl)phenyl)-7,8-dihydro-1H-thiopyrano[4,3-d]pyrimidin-4(5H)-one', '2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiopyrano-[4,3-d]pyrimidin-4-ol', '2-[4-(trifluoromethyl)phenyl]-1H,4H,5H,7H,8H-thiopyrano[4,3-d]pyrimidin-4-one'] BMS-536924 Vandetanib Mercaptopurine ['6-Mercaptopurine', 'mercaptopurine', '50-44-2', 'Purinethol', 'Mercapurin', '6-Thiopurine', 'Leukerin', 'Leupurin', 'Mercaleukin', '6-Thioxopurine', 'Puri-Nethol', 'Ismipur', '7H-purine-6-thiol', 'Mern', '6-Thiohypoxanthine', '6-Mercaptopurin', '6-Purinethiol', 'Purimethol', 'Purinethiol', '6-MP', '1,9-dihydro-6H-purine-6-thione', 'Purine-6-thiol', '3H-Purine-6-thiol', '6 MP', '9H-Purine-6-thiol', 'Mercaleukim', '3,7-dihydropurine-6-thione', '1,7-Dihydro-6H-purine-6-thione', 'Hypoxanthine, thio-', 'Mercaptopurine (6-MP)', '6H-Purine-6-thione, 1,7-dihydro-', 'Mercaptopurin', 'Mercaptopurina', 'Mercaptopurinum', 'Merkaptopuryna', 'Xaluprine', '6-Merkaptopurin', 'Purine, 6-mercapto-', '9H-Purine-6(1H)-thione', 'Mercaptopurine anhydrous', 'Purine-6(1H)-thione', 'NCI-C04886', '7-Mercapto-1,3,4,6-tetrazaindene', '1H-Purine, 6-mercapto-', 'NSC 755', 'U-4748', 'NSC-755', 'UNII-PKK6MUZ20G', 'Mercaptopurine;6-MP', 'NSC755', '3,7-dihydro-6H-purine-6-thione', 'Purinethol (TN)', 'PKK6MUZ20G', '1,9-dihydropurine-6-thione', '1H-purine-6(7H)-thione.', 'CHEBI:2208', '157930-13-7', 'Mercaptopurine (VAN)', 'DSSTox_CID_810', 'Mercaptopurin [German]', 'Merkaptopuryna [Polish]', '6-Merkaptopurin [Czech]', 'DSSTox_RID_75801', 'DSSTox_GSID_20810', 'Mercaptopurine (anhydrous)', '157930-14-8', 'Mercaptopurinum [INN-Latin]', 'Mercaptopurina [INN-Spanish]', 'Purixan', 'thiohypoxanthine', 'Purine-6-thiol, monohydrate', 'CAS-50-44-2', 'SMR000544948', 'Mercaptopurine, 6-', 'CCRIS 2761', 'Mercaptopurine (INN)', 'HSDB 3235', 'SR-05000001925', '1194-62-3', 'EINECS 200-037-4', 'NCIMech_000025', '9H-Purin-6-yl hydrosulfide', 'a thiopurine', 'Mercaptopurine;', 'Mercaptopurine [USAN:USP:INN]', 'Spectrum_000921', 'ACMC-1AUNA', 'Spectrum2_000060', 'Spectrum3_000491', 'Spectrum4_000857', 'Spectrum5_000950', 'M0063', 'H-Purine-6(1H)-thione', 'Azathioprine EP Impurity B', 'SCHEMBL3893', 'CHEMBL1425', 'BSPBio_001981', 'KBioGR_001493', 'KBioGR_002363', 'KBioSS_001401', 'KBioSS_002366', 'AG-670/31547064', 'MLS001066623', 'MLS001304020', 'MLS001304953', 'MLS006011869', 'ARONIS27054', 'DivK1c_000493', 'SPECTRUM1500387', 'SPBio_000219', 'GTPL7226', 'SCHEMBL2790086', '7H-Purin-6-yl hydrosulfide #', 'DTXSID0020810', 'SCHEMBL12683725', 'CHEBI:50667', 'CHEBI:94796', 'HMS501I15', 'KBio1_000493', 'KBio2_001401', 'KBio2_002363', 'KBio2_003969', 'KBio2_004931', 'KBio2_006537', 'KBio2_007499', 'KBio3_001481', 'KBio3_002842', '7-Mercapto-1,4,6-tetrazaindene', 'cMAP_000033', 'NINDS_000493', '6,7-dihydro-3H-purine-6-thione', 'HMS1920L07', 'HMS2091B20', 'HMS2236L06', 'HMS3259N03', 'HMS3369M05', 'HMS3651G07', 'HMS3713N10', 'HMS3747A17', 'HMS3872N13', 'Pharmakon1600-01500387', 'ACT11542', 'EBD16256', 'ZINC4658290', 'Tox21_111158', 'Tox21_202591', '6450AJ', 'BBL033743', 'BDBM50423778', 'CCG-35344', 'CCG-39915', 'EBD540779', 'MFCD00233552', 'NSC759614', 's1305', 'SBB037953', 'SK5357', 'STK727062', 'STL257085', '6-Mercaptopurine, analytical standard', 'WLN: T56 BM DN FN HNJ ISH', 'AKOS000170222', 'AKOS000275858', 'AKOS005224624', 'AKOS008901311', 'AKOS016903205', 'Tox21_111158_1', 'AM81386', 'CCG-266232', 'CS-1499', 'DB01033', 'LS20858', 'MCULE-4811219863', 'NC00613', 'NSC-759614', 'IDI1_000493', 'NCGC00091641-02', 'NCGC00091641-03', 'NCGC00091641-04', 'NCGC00091641-16', 'NCGC00094717-01', 'NCGC00094717-02', 'NCGC00094717-03', 'NCGC00094717-05', 'NCGC00094717-06', 'NCGC00188973-01', 'NCGC00188973-02', 'NCGC00260139-01', 'AC-11464', 'AS-13109', 'H348', 'HY-13677', 'NCI60_041653', 'SMR004703503', 'ST086505', 'ST086506', 'SBI-0051437.P004', 'AB0013000', 'AB0119973', 'DB-026398', 'BB 0241023', 'FT-0621175', 'SW199090-2', 'EN300-61517', '1766-EP2270008A1', '1766-EP2272827A1', '1766-EP2272832A1', '1766-EP2277876A1', '1766-EP2292614A1', '1766-EP2292617A1', '1766-EP2295409A1', '1766-EP2295426A1', '1766-EP2295427A1', '1766-EP2298768A1', '1766-EP2298778A1', '1766-EP2308833A2', '1766-EP2308855A1', '1766-EP2308861A1', '1766-EP2314590A1', '1766-EP2316834A1', '1766-EP2374454A1', '50M442', 'C01756', 'C02380', 'D04931', '15150-EP2272827A1', '15150-EP2275420A1', '15150-EP2295055A2', '15150-EP2295416A2', '15150-EP2298748A2', '15150-EP2298764A1', '15150-EP2298765A1', '15150-EP2305642A2', '15150-EP2305679A1', '15150-EP2308833A2', '15150-EP2311453A1', '15150-EP2311825A1', '15150-EP2311840A1', '15150-EP2311842A2', '15150-EP2316832A1', '15150-EP2316833A1', '21414-EP2270006A1', '21414-EP2270014A1', '21414-EP2272509A1', '21414-EP2272847A1', '21414-EP2275413A1', '21414-EP2277874A1', '21414-EP2284158A1', '21414-EP2287156A1', '21414-EP2287159A1', '21414-EP2295439A1', '21414-EP2311818A1', '21414-EP2314295A1', 'AB00171799_05', 'AB00641894-03', 'AB00641894-04', 'AB00641894_05', 'AB00876276-13', '233D552', '462M721', '599M524', 'A828129', 'Q418529', 'SR-05000001925-1', 'SR-05000001925-2', 'W-105961', 'purine antimetabolite: inhibits nucleic acid replication', '1,9-Dihydropurine-6-thione DISCONTINUED, see M225450', 'Mercaptopurine; 7H-Purine-6-thiol; Azathioprine BP Impurity B', '157930-11-5'] Quercetin TG101209 Amisulpride Aminoglutethimide ['aminoglutethimide', '125-84-8', 'dl-Aminoglutethimide', 'Cytadren', 'Orimeten', 'p-Aminoglutethimide', 'Elipten', '3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione', '3-(4-Aminophenyl)-3-ethyl-2,6-piperidinedione', '2,6-Piperidinedione, 3-(4-aminophenyl)-3-ethyl-', 'Aminoglutetimida', 'Aminoglutethimidum', '2-(p-Aminophenyl)-2-ethylglutarimide', 'Ba-16038', '3-Ethyl-3-(p-aminophenyl)-2,6-dioxopiperidine', '(+/-)-p-AMINOGLUTETHIMIDE', 'Glutethimide, para-amino', 'Glutarimide, 2-(p-aminophenyl)-2-ethyl-', 'AG-1', 'MFCD00010122', '3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione', 'CHEMBL488', 'NSC-330915', 'CHEBI:2654', 'alpha-(p-Aminophenyl)-alpha-ethylglutarimide', 'DSSTox_CID_2589', 'DSSTox_RID_76647', '.alpha.-(p-Aminophenyl)-.alpha.-ethylglutarimide', 'DSSTox_GSID_22589', '(RS)-2-(4-Amino-phenyl)-2-ethyl-glutarimide;(RS)-3-(4-Amino-phenyl)-3-ethyl-2,6-dioxo-piperidine', 'Aminoglutethimidum [INN-Latin]', 'Aminoglutetimida [INN-Spanish]', 'Aminoglutetimide', 'Ba 16038', 'Cytadren (TN)', 'SMR000326785', 'C 16038-BA', 'CCRIS 7562', 'aminoglutethimide (AG)', 'SR-01000075596', '3-(4-Aminophenyl)-3-ethyl-2,6-piperidindion', 'EINECS 204-756-4', 'BRN 0210656', 'Aminoglutethimide (USP/INN)', 'HSDB 7494', '3-(p-Aminophenyl)-3-ethylpiperidine-2,6-dione', 'Aminoglutethimide [USP:INN:BAN]', 'NCGC00016379-01', 'CAS-125-84-8', 'Prestwick_243', 'Spectrum_000040', '(y)-p-Aminoglutethimide', 'Aminoglutethimide AG, 4', 'Aminoglutethimide- Bio-X', '(?)-p-Aminoglutethimide', 'Prestwick0_000244', 'Prestwick1_000244', 'Prestwick2_000244', 'Prestwick3_000244', 'Spectrum2_000093', 'Spectrum3_000296', 'Spectrum4_000144', 'Spectrum5_000802', '3-Carboxy-1,1-dimethyl-, (E)-2-propenyl', 'A 9657', 'SCHEMBL4306', 'Aminoglutethimide (Cytadren)', 'Lopac0_000124', 'BSPBio_000028', 'BSPBio_001832', 'KBioGR_000588', 'KBioSS_000400', '(A+/-)-p-Aminoglutethimide', 'MLS000859924', 'MLS001213216', 'DivK1c_000884', 'SPECTRUM1500115', 'SPBio_000046', 'SPBio_002247', 'BDBM9460', 'BPBio1_000032', 'GTPL7054', 'DTXSID8022589', 'HMS502M06', 'KBio1_000884', 'KBio2_000400', 'KBio2_002968', 'KBio2_005536', 'KBio3_001332', 'NINDS_000884', 'HMS1568B10', 'HMS1920C09', 'HMS2090I05', 'HMS2091I09', 'HMS2095B10', 'HMS2231M19', 'HMS3259H10', 'HMS3260I10', 'HMS3372M07', 'HMS3655O17', 'HMS3712B10', 'Pharmakon1600-01500115', '57288-03-6', 'AMY33415', 'BCP28501', 'EBD40055', 'HY-B0237', '2, 3-(4-aminophenyl)-3-ethyl-', 'Tox21_110406', 'Tox21_303497', 'Tox21_500124', 'BBL010961', 'CCG-38911', 'NSC330915', 'NSC755868', 'SBB000711', 'STK802074', '2-(4-aminophenyl)-2-ethylglutarimide', 'AKOS004120070', 'AKOS022060651', 'Tox21_110406_1', 'AT-2947', 'DB00357', 'LP00124', 'MCULE-9118268281', 'NC00714', 'NSC 330915', 'NSC 755868', 'NSC-755868', 'SDCCGSBI-0050112.P005', 'IDI1_000884', 'SMP1_000017', 'NCGC00015110-02', 'NCGC00015110-03', 'NCGC00015110-04', 'NCGC00015110-05', 'NCGC00015110-06', 'NCGC00015110-07', 'NCGC00015110-09', 'NCGC00015110-12', 'NCGC00015110-21', 'NCGC00093615-01', 'NCGC00093615-02', 'NCGC00093615-03', 'NCGC00093615-04', 'NCGC00093615-05', 'NCGC00257263-01', 'NCGC00260809-01', 'AC-12456', 'AS-13282', 'BA164155', 'H801', 'NCI60_002900', 'SBI-0050112.P004', 'AB0013271', 'DB-021640', 'DB-072002', 'DB-072275', 'AB00051935', 'EU-0100124', 'FT-0773944', 'S1672', 'SW196550-3', '( inverted question mark)-p-Aminoglutethimide', 'EN300-53368', 'VU0243029-3', 'C07617', 'D00574', 'D88489', 'AB00051935-09', 'AB00051935-11', 'AB00051935_12', 'AB00051935_13', '125A848', 'A805433', 'Q241150', '3-(4-aminophenyl)-3-ethylazaperhydroine-2,6-dione', 'SR-01000075596-1', 'SR-01000075596-4', 'SR-01000075596-6', 'W-108399', 'BRD-A25234499-001-05-0', 'BRD-A25234499-001-09-2', 'Z1259341083', 'Aminoglutethimide, European Pharmacopoeia (EP) Reference Standard', 'Aminoglutethimide, United States Pharmacopeia (USP) Reference Standard'] PD173074 ['219580-11-7', 'PD173074', 'PD 173074', 'PD-173074', '1-(tert-Butyl)-3-(2-((4-(diethylamino)butyl)amino)-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea', '1-tert-butyl-3-[2-{[4-(diethylamino)butyl]amino}-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea', 'UNII-A4TLL8634Y', 'A4TLL8634Y', 'CHEMBL189584', 'PD-0173074', 'CHEBI:63448', 'C28H41N7O3', 'MFCD08705327', '1-tert-butyl-3-(2-(4-(diethylamino)butylamino)-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea', '1-tert-butyl-3-[2-[4-(diethylamino)butylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea', '1-tert-butyl-3-[6-(3,5-dimethoxy-phenyl)-2-(4-diethylamino-butylamino)-pyrido[2,3-d]pyrimidin-7-yl]-urea', '3-tert-butyl-1-(2-{[4-(diethylamino)butyl]amino}-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea', '2fgi', 'SMR000568412', 'FGF/VEGF Receptor Tyrosine Kinase Inhibitor, PD173074', 'cc-523', 'MLS001074892', 'MLS006011101', 'SCHEMBL177946', 'Pyrido[2,3-d]pyrimidine 12', 'BDBM6190', 'GTPL5037', 'AOB2517', 'DTXSID30176363', 'EX-A197', 'SYN1176', 'BCPP000121', 'HMS2233G17', 'HMS3265E09', 'HMS3265E10', 'HMS3265F09', 'HMS3265F10', 'HMS3371E08', 'HMS3648A10', 'HMS3654L09', 'BCP02368', 'ZINC3870533', 'NSC766908', 's1264', 'AKOS016008595', 'BCP9001065', 'CCG-264881', 'CS-0182', 'NSC-766908', 'QC-7737', 'SB19382', 'NCGC00165863-01', 'NCGC00165863-02', 'NCGC00165863-17', '1-t-Butyl-3-(6-(3,5-dimethoxyphenyl)-2-(4-diethylaminobutylamino)-pyrido[2,3-d]pyrimidin-7-yl)urea', 'AC-24850', 'AS-16310', 'BP162784', 'HY-10321', "N-[2-[[4-(Diethylamino)butyl]amino] -6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-y l]-N'-(1,1-dimethylethyl)urea", 'AB0033759', 'FT-0673540', 'P2474', 'SW218104-2', 'X7486', 'PD 173074, >=96% (HPLC), powder', 'A25450', 'SR-01000837541', 'J-014372', 'J-523314', 'SR-01000837541-2', 'Q27088276', 'FGF/VEGF Receptor Tyrosine Kinase Inhibitor, PD173074 - CAS 219580-11-7', '1-(tert-Butyl)-3-[7-[[4-(diethylamino)butyl]amino]-3-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]urea', '1-tert-Butyl-3-(6-(3,5-dimethoxyphenyl)-2-(4-diethylaminobutylamino)pyrido(2,3-d)pyrimidin-7-yl)urea', 'N-(tert-Butyl)-N -[2-[[4-(diethylamino)butyl]amino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea', "N-[2-[[4-(Dethylamno)butyl]amno]-6-(3,5-dmethoxyphenyl)pyrdo[2,3-d ]pyrmdn-7-yl]-n'-(1,1-dmethylethyl)urea", "N-[2-[[4-(Diethylamino)butyl]amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1-dimethylethyl)urea", "N-[2-[[4-(Diethylamino)butyl]amino]-6-(3,5- dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1- dimethylethyl)urea", "N-[2-[[4-(diethylamino)butyl]amino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1-dimethylethyl)-urea", "N-[2-[[4-(Diethylamino)butyl]amino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1-dimethylethyl)urea", "PD 173074;n-[2-[[4-(diethylamino)butyl]amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-n'-(1,1-dimethylethyl)urea"] Nilotinib Lomustine ['lomustine', '13010-47-4', '1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea', 'CCNU', 'Belustine', 'CeeNU', 'Cecenu', 'CINU', 'Chloroethylcyclohexylnitrosourea', "Urea, N-(2-chloroethyl)-N'-cyclohexyl-N-nitroso-", 'Lomustina', 'Lomustinum', 'Lomustinum [INN-Latin]', 'Lomustina [INN-Spanish]', "N-(2-Chloroethyl)-N'-cyclohexyl-N-nitrosourea", '1-(2-Chloroethyl)-3-cyclohexylnitrosourea', 'NSC 79037', 'Gleostine', 'Cyclohexyl chloroethyl nitrosourea', 'SRI 2200', 'NSC-79037', 'ICIG 1109', 'NCI-C04740', '(Chloro-2-ethyl)-1-cyclohexyl-3-nitrosourea', 'RB 1509', '(Cloro-2-etil)-1-cicloesil-3-nitrosourea', 'UNII-7BRF0Z81KG', 'NSC79037', 'Lomustine (CeeNU)', '1-Nitrosourea, 1-(2-chloroethyl)-3-cyclohexyl-', 'CHEBI:6520', 'Urea, 1-(2-chloroethyl)-3-cyclohexyl-1-nitroso-', '7BRF0Z81KG', 'CCNU; NSC 79037', '1-(2-chloroethyl)-3-cyclohexyl-1-nitroso-urea', 'NCGC00167466-01', 'DSSTox_CID_3222', '3-(2-chloroethyl)-1-cyclohexyl-3-nitrosourea', 'DSSTox_RID_76930', 'DSSTox_GSID_23222', 'C9H16ClN3O2', 'CCRIS 860', 'CAS-13010-47-4', 'CCNU [Chloroethyl nitrosoureas]', 'HSDB 6519', 'SR-05000001497', 'EINECS 235-859-2', 'BRN 2125058', '(Cloro-2-etil)-1-cicloesil-3-nitrosourea [Italian]', 'Lomustine [USAN:INN:BAN]', 'AI3-52779', 'Gleostine (TN)', 'Lomustine- Bio-X', 'Lomustine, >=98%', 'Lomustine (USP/INN)', 'CCN-U', '1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea [Chloroethyl nitrosoureas]', 'CHEMBL514', 'NCIMech_000220', 'SCHEMBL3995', 'WLN: L6TJ AMVNNO&2G', 'GTPL7214', 'DTXSID2023222', 'HMS2090A17', 'HMS3655I16', 'Pharmakon1600-01502301', 'BCP06551', 'ZINC3831006', 'Tox21_112470', 'BDBM50247919', 'MFCD00012392', 'NSC759635', 's1840', 'AKOS005766022', 'Tox21_112470_1', 'AC-8062', 'ACN-048517', 'CCG-213022', 'CS-1461', 'DB01206', 'DS-1269', 'NSC-759635', 'NCGC00167466-02', 'NCGC00167466-03', 'BL164634', 'H651', 'HY-13669', 'NCI60_041743', 'AB0013165', 'DB-017097', 'AM20070540', 'FT-0627972', 'L0251', 'SW220040-1', 'C07079', 'D00363', 'AB00173884-02', 'AB00173884-03', 'AB00173884-04', 'AB00173884_05', 'AB00173884_06', '010L474', 'A806019', 'Q415378', 'SR-05000001497-1', 'SR-05000001497-3', 'Urea, 1-(2-chloroethyl)-3-cyclohexyl)-1-nitroso-', 'W-108355', 'Lomustine, European Pharmacopoeia (EP) Reference Standard', 'Lomustine, United States Pharmacopeia (USP) Reference Standard', '1-(2-Chloroethyl)-1-[(cyclohexylamino)carbonyl]-2-oxohydrazine #', '2-chloro-N-(cyclohexyl-C-hydroxycarbonimidoyl)-N-nitrosoethan-1-amine', '1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea1-(2-chloroethyl)-3-cyclohexyl-1-nitroso-urea13010-47-4NCI60_0417431-(2-Chloroethyl)-3-cyclohexylnitrosourea1-Nitrosourea, 1-(2-chloroethyl)-3-cyclohexyl-Be'] SL-327 ['SL327', '305350-87-2', 'SL-327', 'MEK1/2 Inhibitor', 'SL 327', 'C16H12F3N3S', '3-Amino-3-((4-aminophenyl)thio)-2-(2-(trifluoromethyl)phenyl)acrylonitrile', 'MFCD06411432', '(E)-3-amino-3-(4-aminophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]prop-2-enenitrile', '(Z)-3-Amino-3-(4-aminophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]prop-2-enenitrile', '(Z)-3-amino-3-(4-aminophenylthio)-2-(2-(trifluoromethyl)phenyl)acrylonitrile', 'alpha-[amino[(4-aminophenyl)thio]methylene]-2-(trifluoromethyl)benzeneacetonitrile', 'alpha-{amino[(4-aminophenyl)thio]methylene}-2-(trifluoromethyl)benzeneacetonitrile', 'K00090', 'SCHEMBL570317', 'SCHEMBL570318', 'GTPL6008', 'CHEBI:92211', 'AOB5954', 'DTXSID90429549', 'alpha-[Amino-(4-aminophenylthio)methylene)-2-(trifluoromethyl)phenylacetonitrile', 'HMS3229K18', 'HMS3414M21', 'HMS3678M21', 'HMS3884G03', 'BCP05310', 'EX-A1069', 'ZINC1910234', 'HSCI1_000044', 's1066', 'AKOS024456884', 'CCG-206867', 'CS-0910', 'Z-& E-alpha-(Amino-((4-aminophenyl)thio)methylene)-2-(trifluoromethyl)benzeneacetonitrile', 'NCGC00092290-01', 'NCGC00092290-02', 'NCGC00092290-09', 'AC-33170', 'BS-16906', 'HY-15437', 'SW219839-1', 'X3440', 'EC-000.2354', 'A876156', 'J-018001', 'BRD-K12244279-001-01-7', 'Q27084156', 'SL327, >=98% (HPLC), Mixture of E & Z isomers, solid', '(2Z)-3-amino-3-[(4-aminophenyl)sulfanyl]-2-[2-(trifluoromethyl)phenyl]prop-2-enenitrile', '(Z)-3-Amino-3-((4-aminophenyl)thio)-2-(2-(trifluoromethyl)phenyl)acrylonitrile', '3-amino-3-(4-aminophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]prop-2-enenitrile', '3-amino-3-[(4-aminophenyl)sulfanyl]-2-[2-(trifluoromethyl)phenyl]acrylonitrile', '3-amino-3-[(4-aminophenyl)thio]-2-[2-(trifluoromethyl)phenyl]-2-propenenitrile', 'Benzeneacetonitrile, alpha-[amino[(4-aminophenyl)thio]methylene]-2-(trifluoromethyl)-', 'E/Z-a-[amino[(4-aminophenyl)thio]methylen]-2-(trifluoromethyl)benzeneacetonitrile', 'Z-& E-a-(Amino-((4-aminophenyl)thio)methylene)-2-(trifluoromethyl)benzeneacetonitrile', '297744-39-9'] Rucaparib AICAR [17513, 266934, 46780289, 53298813] Entinostat Clevudine [73115, 72327, 67236438, 5270576, 352992] Entacapone A-366 Ivosidenib PD98059 ['167869-21-8', 'PD98059', 'PD 98059', '2-(2-amino-3-methoxyphenyl)-4H-chromen-4-one', 'PD 98,059', 'PD-98059', '2-(2-Amino-3-methoxyphenyl)-4H-1-benzopyran-4-one', '2-(2-amino-3-methoxyphenyl)chromen-4-one', "2'-AMINO-3'-METHOXYFLAVONE", 'PD-098059', '4H-1-Benzopyran-4-one, 2-(2-Amino-3-methoxyphenyl)-', 'UNII-SJE1IO5E3I', 'SJE1IO5E3I', 'CHEMBL35482', 'C16H13NO3', 'CHEBI:77954', 'MFCD00671789', '2-(2-Amino-3-methoxy-phenyl)-chromen-4-one', 'SR-01000076097', 'PD 098059', '2-(2-Amino-3-methoxyphenyl)-chromen-4-one', 'NSC 679829', '2′-Amino-3′-methoxyflavone', 'Tocris-1213', 'PD098059', 'Lopac-P-215', 'BiomolKI_000001', '2-(2-amino-3-methoxy-phenyl)chromen-4-one', 'BiomolKI2_000011', 'PD 98,059, solid', 'Lopac0_001028', 'BMK1-B1', 'BSPBio_000996', 'KBioGR_000336', 'KBioSS_000336', "2-(2'-amino-3'-methoxyphenyl)oxanaphthalen-4-one", 'cc-461', 'MLS006010134', 'SCHEMBL157826', '4H-1-Benzopyran-4-one,2-(2-amino-3-methoxyphenyl)-', 'GTPL5241', 'QCR-14', "2''-amino-3''-methoxyflavone", 'BCBcMAP01_000049', 'KBio2_000336', 'KBio2_002904', 'KBio2_005472', 'KBio3_000671', 'KBio3_000672', 'AOB2598', 'DTXSID40168416', 'BCPP000123', 'Bio1_000475', 'Bio1_000964', 'Bio1_001453', 'Bio2_000338', 'Bio2_000818', 'HMS1362B17', 'HMS1792B17', 'HMS1990B17', 'HMS3229M08', 'HMS3263M17', 'HMS3267D03', 'HMS3403B17', 'HMS3412O09', 'HMS3649N14', 'HMS3654I16', 'HMS3676O09', 'BCP02423', 'EX-A2127', 'ZINC1420826', 'Tox21_501028', 'BDBM50108771', 'NSC679828', 's1177', 'AKOS015995212', 'BCP9001060', 'BP34124', 'CCG-100605', 'CS-0169', 'LP01028', 'NSC 679828', 'NSC-679828', 'SB16629', 'SDCCGSBI-0051000.P003', 'IDI1_002093', 'SMP2_000052', 'NCGC00015790-01', 'NCGC00015790-02', 'NCGC00015790-03', 'NCGC00015790-04', 'NCGC00015790-05', 'NCGC00015790-06', 'NCGC00015790-07', 'NCGC00015790-08', 'NCGC00025045-01', 'NCGC00025045-02', 'NCGC00025045-03', 'NCGC00025045-04', 'NCGC00025045-05', 'NCGC00179347-01', 'NCGC00261713-01', 'AC-28412', 'AS-19374', 'HY-12028', 'NCI60_028554', 'SMR001456459', 'AB0033706', 'EU-0101028', 'FT-0716482', 'P-215', 'SW218254-2', 'X7398', 'EC-000.2425', 'A25454', 'P-4313', 'PD 98059 & Z-100', 'InSolution PD 98059 - CAS 167869-21-8', 'J-505513', 'SR-01000076097-1', 'SR-01000076097-3', 'SR-01000076097-6', '2-(2-amino-3-methoxyphenyl)-4-oxo-4H-[1]benzopyran', 'BRD-K62810658-001-05-6', 'BRD-K62810658-001-06-4', 'Q27088281', '2-(2-Amino-3-methoxy-phenyl)-chromen-4-one(PD98059)', 'PD 98059 - CAS 167869-21-8', '4H-1-Benzopyran-4-one, 2-(2-amino-3-methoxyphenyl)- & Z-100'] AMG-900 Busulfan ['busulfan', '55-98-1', 'Myleran', 'Busulphan', 'Sulphabutin', 'Myelosan', 'Leucosulfan', 'Busulfex', 'Citosulfan', 'Mielucin', 'Misulban', 'Mitostan', 'Myeloleukon', 'Mylecytan', 'Sulfabutin', 'Mablin', 'Mielevcin', 'Milecitan', 'Mielosan', 'Mileran', 'butane-1,4-diyl dimethanesulfonate', 'Buzulfan', '1,4-Dimesyloxybutane', '1,4-BUTANEDIOL DIMETHANESULFONATE', 'Myeleukon', '1,4-Dimethanesulfonoxybutane', 'Tetramethylene dimethane sulfonate', '1,4-Butanediol, dimethanesulfonate', 'Busulfano', 'Busulfanum', 'Busulphane', '1,4-Dimethylsulfonyloxybutane', '1,4-Dimethanesulfonyloxybutane', '1,4-Bis(methanesulfonoxy)butane', '1,4-Butanediol dimethylsulfonate', '1,4-Dimethylsulfonoxybutane', '1,4-Bis(methanesulfonyloxy)butane', 'GT 41', 'NCI-C01592', '4-methylsulfonyloxybutyl methanesulfonate', 'CB 2041', 'AN 33501', 'Methanesulfonic acid, tetramethylene ester', 'Tetramethylene bis(methanesulfonate)', '1,4-Dimethanesulphonyloxybutane', 'NSC 750', 'NSC-750', '1,4-Butanediol dimethanesulphonate', 'Tetramethylenester kyseliny methansulfonove', 'C.B. 2041', 'X 149', 'GT 2041', 'Tetramethylene bis[methanesulfonate]', 'UNII-G1LN9045DK', 'NSC750', '1,4-Bis[methanesulfonoxy]butane', 'CHEBI:28901', '2041 C. B.', 'G.T. 41', 'G1LN9045DK', '4-(methanesulfonyloxy)butyl methanesulfonate', 'MFCD00007562', 'NCGC00090905-06', 'Busilvex', 'Mitosan', 'DSSTox_CID_910', 'Busulfanum [INN-Latin]', 'DSSTox_RID_75857', 'Busulfano [INN-Spanish]', 'DSSTox_GSID_20910', 'Methanesulfonic', 'C6H14O6S2', 'CAS-55-98-1', 'CCRIS 418', 'SR-01000765405', 'EINECS 200-250-2', 'BRN 1791786', 'Bisulfex', 'AI3-25012', 'Busulfan;', 'Busulfan/Myleran', 'Busulfan solution', 'Busulfex IV', 'Busulfan [USP:INN:BAN:JAN]', 'HSDB 7605', 'Tetramethylenester kyseliny methansulfonove [Czech]', 'Prestwick_989', 'ACMC-20aljs', 'Tetramethylene {bis[methanesulfonate]}', 'Spectrum_000092', '2041 C.B.', 'Spectrum2_000067', 'Spectrum3_000320', 'Spectrum4_000259', 'Spectrum5_000928', 'CHEMBL820', 'NCIMech_000192', 'SCHEMBL4373', 'WLN: WS1&O4OSW1', 'BSPBio_001920', 'KBioGR_000698', 'KBioSS_000512', 'MLS001076666', 'Busulfan (Myleran, Busulfex)', 'DivK1c_000847', 'SPECTRUM1500152', 'Busulfan (JP17/USP/INN)', 'SPBio_000253', 'GTPL7136', 'DTXSID3020910', 'COVZYZSDYWQREU-UHFFFAOYSA-', 'HMS502K09', 'KBio1_000847', 'KBio2_000512', 'KBio2_003080', 'KBio2_005648', 'KBio3_001420', 'NINDS_000847', 'HMS1920I07', 'HMS2091O09', 'HMS2233H04', 'HMS3259G15', 'HMS3370E11', 'HMS3655A21', 'HMS3712A20', 'Pharmakon1600-01500152', 'AMY33355', 'HY-B0245', 'ZINC1530572', 'Tox21_111038', 'Tox21_201848', 'Tox21_300318', '1, {4-Bis[methanesulfonoxy]butane}', '2041CB', 'AC-198', 'BDBM50237623', 'CCG-35458', 'NSC755916', 's1692', 'AKOS003614975', 'Tox21_111038_1', 'DB01008', 'KS-5212', 'MCULE-1840882522', 'NC00498', 'NSC-755916', 'IDI1_000847', 'NCGC00090905-01', 'NCGC00090905-02', 'NCGC00090905-03', 'NCGC00090905-04', 'NCGC00090905-05', 'NCGC00090905-07', 'NCGC00090905-08', 'NCGC00090905-09', 'NCGC00090905-10', 'NCGC00090905-11', 'NCGC00090905-12', 'NCGC00254038-01', 'NCGC00259397-01', '4-(methylsulfonyloxy)butyl methylsulfonate', 'NCI60_041640', 'O994', 'SMR000058613', 'SBI-0051300.P003', 'AB0006846', 'FT-0623291', 'FT-0663910', 'ST45022142', 'SW198555-3', 'C06862', 'D00248', 'D88731', '15167-EP2272827A1', '15167-EP2272832A1', '15167-EP2275420A1', '15167-EP2295055A2', '15167-EP2295416A2', '15167-EP2295426A1', '15167-EP2295427A1', '15167-EP2298748A2', '15167-EP2298764A1', '15167-EP2298765A1', '15167-EP2298778A1', '15167-EP2305642A2', '15167-EP2308833A2', '15167-EP2308861A1', '15167-EP2311453A1', '15167-EP2311825A1', '15167-EP2311842A2', '15167-EP2316832A1', '15167-EP2316833A1', '32314-EP2280012A2', '32314-EP2281815A1', '32314-EP2292595A1', '32314-EP2292615A1', '32314-EP2301928A1', '32314-EP2301933A1', '32314-EP2305640A2', '32314-EP2305671A1', '32314-EP2311827A1', '32314-EP2311840A1', '4-[(Methylsulfonyl)oxy]butyl methanesulfonate #', 'AB00051929-10', 'AB00051929-11', 'AB00051929_12', 'AB00051929_14', 'Busulfan, analytical standard, for drug analysis', 'Q348922', 'SR-01000765405-2', 'SR-01000765405-3', 'SR-01000765405-7', 'Busulfan, European Pharmacopoeia (EP) Reference Standard', 'Z276508890', '129316-96-7'] Cyclocytidine [25051, 25050] Danusertib Ki8751 EED226 Rigosertib Pirarubicin [11296583, 636397, 4844, 3033521, 6917695, 45358767, 6712062, 122173004, 131750285, 134692159, 137704806] Daphnetin Fulvestrant Barasertib CUDC-907 SRT1720 [25232708, 24180125] Zileuton PFI-1 Dasatinib AG-14361 ['AG14361', '328543-09-5', 'AG-14361', 'AG 14361', 'UNII-48N0U0K50I', 'CHEMBL65892', 'Imidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one, 2-[4-[(dimethylamino)methyl]phenyl]-5,6-dihydro-', '48N0U0K50I', '1-(4-((dimethylamino)methyl)phenyl)-8,9-dihydro-2,7,9a-triazabenzo[cd]azulen-6(7H)-one', 'AG-014361', '1-(4-((dimethylamino)methyl)phenyl)-8,9-dihydro-2,7,9a-triazabenzo[cd]azulen-6(7H)-one.', 'Imidazo(4,5,1-jk)(1,4)benzodiazepin-7(4H)-one, 2-(4-((dimethylamino)methyl)phenyl)-5,6-dihydro-', 'SMR000486393', 'cc-486', 'MLS001065917', 'MLS006011157', 'GTPL8094', 'SCHEMBL6196282', 'CHEBI:92015', 'cid_9840076', 'DTXSID80186513', 'TBI-361', 'HMS2210M16', 'HMS3349J15', 'HMS3655J06', 'BCP02449', 'EX-A2376', 'ZINC3819893', 'BDBM50122776', 'MFCD18385009', 's2178', 'CCG-264937', 'CS-0175', 'QC-8168', 'NCGC00168108-02', 'NCGC00168108-03', 'NCGC00168108-05', '2-[4-[(Dimethylamino)methyl]phenyl]-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one', 'AC-33043', 'AS-19398', 'HY-12032', 'AB0033789', 'AG 14361;AG-14361', 'SW219936-1', 'X7542', 'F52499', 'J-507662', 'Q27074337', '1-(4-Dimethylaminomethyl-phenyl)-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azulen-6-one', '2-[4-[(dimethylamino)methyl]phenyl]-1,3,10-triazatricyclo[6.4.1.0^{4,13]trideca-2,4,6,8(13)-tetraen-9-one', '2-[4-[(dimethylamino)methyl]phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one', '2-[4-[(Dimethylamino)methyl]phenyl]-5,6-dihydro-imidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one'] TAK-901 Prednisone ['prednisone', '53-03-2', 'Dehydrocortisone', 'Decortin', 'Deltasone', 'Meticorten', 'Orasone', 'Rectodelt', 'Ultracorten', 'Dacortin', 'Encorton', '1,2-Dehydrocortisone', 'Deltacortisone', 'Deltacortone', 'Ancortone', 'Colisone', 'Decortancyl', 'Decortisyl', 'Deltison', 'Encortone', 'Paracort', 'Prednilonga', 'Prednison', 'Sterapred', 'Cortan', 'Liquid Pred', 'Di-Adreson', 'Bicortone', 'Cortidelt', 'Dekortin', 'Diadreson', 'Enkorton', 'Hostacortin', 'Lisacort', 'Panafcort', 'Prednisonum', 'Prednizon', 'Pronison', 'Servisone', 'Supercortil', 'Ultracortene', 'Zenadrid', 'Adasone', 'Cotone', 'Deltra', 'Juvason', 'Lodotra', 'Nurison', 'Winpred', 'Wojtab', 'Metacortandracin', 'Delta-Cortelan', 'Prednicen-M', 'Delta-Dome', 'Delta E', 'In-Sone', '17,21-Dihydroxypregna-1,4-diene-3,11,20-trione', 'Cartancyl', 'Deltisona', 'SK-Prednisone', 'Prednisona', 'Prednisonum [INN-Latin]', 'Prednisona [INN-Spanish]', '1,4-Pregnadiene-17alpha,21-diol-3,11,20-trione', 'Deltisone', 'Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-', 'Zenadrid (veterinary)', 'Fernisone', 'NCI-C04897', 'UNII-VB0R961HZT', '1-Dehydrocortisone', 'NSC 10023', 'U 6020', 'Prednidib', 'Panasol', 'delta-Cortisone', 'Sone', 'Zenadrid [veterinary]', 'Apo-Prednisone', 'Novoprednisone', 'Dellacort', 'Deltacortene', 'Econosone', 'Incocortyl', 'Parmenison', 'Predeltin', 'Prednicorm', 'Prednicort', 'Prednicot', 'Prednitone', 'Prednovister', 'Retrocortine', 'Dacorten', 'Fiasone', 'MFCD00003608', 'NSC-10023', 'Pehacort', 'Presone', 'delta cortelan', 'Nisona', 'Nizon', 'Dellacort A', 'VB0R961HZT', 'Me-Korti', 'Origen Prednisone', 'CHEBI:8382', 'Prednisone Intensol', '(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione', '.delta.-Cortisone', '.delta.1-Cortisone', 'delta-1-Cortisone', 'NCGC00090766-01', 'Precort', '.delta.1-Dehydrocortisone', 'DSSTox_CID_1185', '1-Cortisone', 'Meticorten (Veterinary)', 'delta(sup 1)-Cortisone', 'delta-1-Dehydrocortisone', 'DSSTox_RID_75997', 'DSSTox_GSID_21185', 'delta(sup 1)-Dehydrocortisone', 'Lodtra', 'Rayos', '(8S,9S,10R,13S,14S,17R)-17-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene-3,11(6H)-dione', 'SMR000718760', 'SMR001227202', 'Delta E.', 'CCRIS 2646', 'HSDB 3168', 'MLS002638114', 'EINECS 200-160-3', 'Prednisone [USP:INN:BAN]', '1,4-Pregnadiene-17-alpha,21-diol-3,11,20-trione', 'AI3-52939', '.delta.sone', '.delta.-Cortone', 'Prednisone tablets', '.delta.-Cortelan', 'CAS-53-03-2', 'Deltadehydrocortisone', 'Prednisone(Adasone)', 'Prestwick_405', '.delta. E', '.delta.-E', 'Prednisone (Adasone)', 'Prednisone, >=98%', 'Prestwick0_000077', 'Prestwick1_000077', 'Prestwick2_000077', 'Prestwick3_000077', '.delta.(sup1)-Cortisone', 'P1276', 'modified-release prednisone', 'CHEMBL635', 'SCHEMBL3288', 'BSPBio_000293', 'MLS001061265', 'MLS001304073', 'MLS001335907', 'MLS001335908', 'MLS002154191', 'MLS002207083', 'MLS002548880', 'SPBio_002214', 'BPBio1_000323', 'GTPL7096', 'MEGxm0_000443', '17alpha,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione', 'DTXSID4021185', 'ACon0_000082', 'ACon1_000297', 'HMS1568O15', 'HMS2090J13', 'HMS2095O15', 'HMS2231I24', 'HMS3039K07', 'HMS3259I09', 'HMS3712O15', 'HMS3884C04', '1,21-diol-3,11,20-trione', 'BCP09049', 'HY-B0214', 'NSC10023', 'Pregna-1,4-diene-3,11,20-trione monohydrate, 17,21-dihydroxy-', 'ZINC3875357', 'Tox21_111014', 'Tox21_201564', 'Tox21_300196', 'LMST02030180', 's1622', 'AKOS005267096', 'AKOS007930684', 'Tox21_111014_1', 'CCG-220077', 'DB00635', 'MCULE-2603291254', 'NC00475', 'NCGC00090766-02', 'NCGC00090766-03', 'NCGC00090766-04', 'NCGC00090766-05', 'NCGC00090766-07', 'NCGC00254096-01', 'NCGC00259113-01', 'Prednisone, tested according to Ph.Eur.', 'AC-11112', 'AS-11685', 'NCI60_000008', 'Pregna-1,11,20-trione, 17,21-hydroxy-', 'EN300-52605', 'Pregna-1,11,20-trione, 17,21-dihydroxy-', '7077-EP2269977A2', '7077-EP2270014A1', '7077-EP2275413A1', '7077-EP2275420A1', '7077-EP2277565A2', '7077-EP2277566A2', '7077-EP2277567A1', '7077-EP2277568A2', '7077-EP2277569A2', '7077-EP2277570A2', '7077-EP2281815A1', '7077-EP2286811A1', '7077-EP2287156A1', '7077-EP2289892A1', '7077-EP2289894A2', '7077-EP2292280A1', '7077-EP2295055A2', '7077-EP2295409A1', '7077-EP2295416A2', '7077-EP2295426A1', '7077-EP2295427A1', '7077-EP2298743A1', '7077-EP2298748A2', '7077-EP2298764A1', '7077-EP2298765A1', '7077-EP2301933A1', '7077-EP2305642A2', '7077-EP2305660A1', '7077-EP2308812A2', '7077-EP2308833A2', '7077-EP2308855A1', '7077-EP2311453A1', '7077-EP2311807A1', '7077-EP2311827A1', '7077-EP2311840A1', '7077-EP2314590A1', 'C07370', 'J10219', '003P608', 'Q424972', 'SR-01000837536', 'SR-01000837536-3', 'BRD-K85883481-001-04-2', 'BRD-K85883481-001-08-3', 'BRD-K85883481-001-25-7', '17alpha,21-dihydroxypregna-1,4-diene-3,11,20-trione', 'WLN: L E5 B666 CV OV AHTTT&J A1 E1 FV1Q FQ', 'Prednisone, British Pharmacopoeia (BP) Reference Standard', 'Prednisone, European Pharmacopoeia (EP) Reference Standard', 'Prednisone, United States Pharmacopeia (USP) Reference Standard', 'Prednisone, Pharmaceutical Secondary Standard; Certified Reference Material', 'Prednisone for peak identification, European Pharmacopoeia (EP) Reference Standard', 'Prednisone, pharmaceutical secondary standard; traceable to USP, PhEur and BP', '(8S,10R,13S,17R)-17-Hydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-7,8,9,10,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,11-dione', 'Prednisone solution, 100 mug/mL in acetonitrile, ampule of 1 mL, certified reference material'] JNJ-7706621 Disulfiram ['disulfiram', 'Tetraethylthiuram disulfide', '97-77-8', 'Antabuse', 'Bis(diethylthiocarbamoyl) disulfide', 'Antabus', 'TETD', 'Alcophobin', 'Anticol', 'Esperal', 'Teturam', 'Dicupral', 'Exhorran', 'Hoca', 'Ethyldithiurame', 'Abstensil', 'Antaethyl', 'Antietanol', 'Antivitium', 'Contralin', 'Tetradine', 'Tetraetil', 'Teturamin', 'Abstinil', 'Abstinyl', 'Antadix', 'Antalcol', 'Antetan', 'Antetil', 'Antietil', 'Antikol', 'Aversan', 'Averzan', 'Cronetal', 'Krotenal', 'Refusal', 'Etabus', 'Ethyl tuads', 'Ethyl Thiram', 'Ethyl Thiurad', 'Ethyl Tuex', 'Antaenyl', 'Antaetil', 'Antiaethan', 'Contrapot', 'Disulfan', 'Disulfuram', 'Ephorran', 'Stopetyl', 'Thiuranide', 'Anteyl', 'Bonibal', 'Disetil', 'Nocbin', 'Tenurid', 'Tenutex', 'Tetidis', 'Ekagom TEDS', 'Ekagom TETDS', 'Ethyldithiourame', 'Noxal', 'Anti-ethyl', 'Alk-aubs', 'Thiuram E', 'TATD', 'Soxinol TET', 'Tetraethylthiram disulfide', 'Ekagom DTET', 'Accel TET', 'Espenal', 'Exhoran', 'Sanceler TET-G', 'Ro-sulfiram', 'Tetraethylthiuram disulphide', 'Tetraethylthiuram', 'Tuads, ethyl', 'Usaf B-33', 'Sanceler TET', 'Tetraethylthioperoxydicarbonic diamide', 'Stopaethyl', 'Thireranide', 'Antaethan', 'Antethyl', 'Tetradin', 'Tillram', 'Accel TET-R', 'Ethyl Thiudad', 'Dupon 4472', 'Tetraethylthiuran disulfide', 'Anthethyl', 'Disulphuram', 'Dupont fungicide 4472', 'Hocakrotenalnci-C02959', 'Tetraethylthiram disulphide', 'Bis(diethylthiocarbamyl) disulfide', 'Tetraethylthiuram sulfide', 'Thiuram disulfide, tetraethyl-', "N,N,N',N'-Tetraethylthiuram disulfide", 'Antabuse (TN)', 'Bis(N,N-diethylthiocarbamoyl) disulfide', 'C10H20N2S4', "1,1'-Dithiobis(N,N-diethylthioformamide)", 'Disulfide, bis(diethylthiocarbamoyl)', 'diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate', 'ENT 27,340', 'NSC 190940', 'UNII-TR3MLJ1UAI', 'Thioperoxydicarbonic diamide, tetraethyl-', 'Bis(diethylthiocarbamoyl)disulphide', 'NCI-C02959', 'TTS', 'Bis(N,N-diethylthiocarbamoyl)disulphide', "N,N,N',N'-Tetraethylthiuram disulphide", 'Bis((diethylamino)thioxomethyl)disulphide', 'Bis((diethylamino)thioxomethyl) disulfide', 'Tetraethylthiuram disulfide;TETD', 'Disulfiram (Antabuse)', 'TR3MLJ1UAI', 'N,N-diethyl[(diethylcarbamothioyl)disulfanyl]carbothioamide', 'MFCD00009048', 'NSC-25953', 'Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetraethyl-', 'CHEMBL964', 'MLS000069818', 'CHEBI:4659', 'Bis(diethylthiocarbamyoyl)disulfide', "1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane", 'NSC25953', 'Esperal [France]', 'CAS-97-77-8', 'NCGC00016000-08', 'NCGC00016000-13', 'SMR000059171', 'Thioperoxydicarbonic diamide (((H2N)C(S))2S2), tetraethyl-', 'DSSTox_CID_1322', 'Ancazide ET', 'Akrochem TETD', 'Perkacit TETD', 'Ekaland TETD', 'Perkait TETD', 'DSSTox_RID_76082', 'DSSTox_GSID_21322', 'Ethyl Tuads Rodform', 'Disulfiramum [INN-Latin]', "Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,N',N'-tetraethyl-", 'Disulfiramo [INN-Spanish]', 'Bis[(diethylamino)thioxomethyl] disulfide', 'CCRIS 582', "1,1'-Dithiobis[N,N-diethylthioformamide]", 'HSDB 3317', 'SR-01000076145', 'EINECS 202-607-8', 'NSC 25953', 'Disulfarim', 'AI3-27340', "Formamide, 1,1'-dithiobis(N,N-diethylthio-", "Thioperoxydicarbonic diamide (((H2N)C(S))2S2), N,N,N',N'-tetraethyl-", 'Disulfiram [USP:INN:BAN:JAN]', 'Prestwick_182', 'Spectrum_001010', 'CPD000059171', 'Opera_ID_224', 'Prestwick0_000097', 'Prestwick1_000097', 'Prestwick2_000097', 'Prestwick3_000097', 'Spectrum2_001176', 'Spectrum3_000405', 'Spectrum4_000228', 'Spectrum5_001590', 'Lopac-T-1132', '1,N-diethylthioformamide]', "Formamide, 1,1'-dithiobis(N,N-diethylthio)-", 'UPCMLD-DP090', 'EC 202-607-8', 'T 1132', 'tetraethyl thiuram disulfide', 'Tetraethyldithiuram disulfide', 'Lopac0_001164', 'SCHEMBL27213', 'BSPBio_000054', 'BSPBio_001930', 'KBioGR_000895', 'KBioSS_001490', 'MLS000758264', 'MLS001076475', 'MLS001423963', 'ARONIS24121', 'SPECTRUM1500262', 'SPBio_001191', 'SPBio_001993', 'ACMC-209s92', 'BPBio1_000060', 'Disulfiram (JP17/USP/INN)', 'GTPL7168', 'ORA102', 'DTXSID1021322', 'UPCMLD-DP090:001', 'KBio2_001490', 'KBio2_004058', 'KBio2_006626', 'KBio3_001150', 'ORA-102', 'Thioperoxydicarbonic diamide ((H2N)C(S))2S2, tetraethyl-', 'HMS1568C16', 'HMS1920I16', 'HMS2051M17', 'HMS2090C18', 'HMS2091O22', 'HMS2095C16', 'HMS2230K06', 'HMS3263J09', 'HMS3371B21', 'HMS3393M17', 'HMS3655I19', 'HMS3712C16', 'HMS3867H13', 'Pharmakon1600-01500262', 'BCP07331', 'HY-B0240', 'ZINC1529266', 'bis-(diethyl-thiocarbamyl)-disulfide', 'Tox21_110280', 'Tox21_300403', 'Tox21_400072', 'Tox21_501164', 'BDBM50058655', 'CCG-39549', 'DL-379', "N,N',N'-Tetraethylthiuram disulfide", 'NSC756748', 'NSC800739', 's1680', 'SBB058706', 'STL069539', "1,1',1'',1'''-{disulfanediylbis[(thioxomethylene)-nitrilo]}tetraethane", 'AKOS000120201', 'Tox21_110280_1', 'AT13284', 'DB00822', 'HS-0057', 'LP01164', 'MCULE-1443050857', 'NC00063', 'NSC-756748', 'NSC-800739', 'SDCCGSBI-0051131.P005', 'WLN: 2N2 & YUS & S 2', 'NCGC00016000-01', 'NCGC00016000-02', 'NCGC00016000-03', 'NCGC00016000-04', 'NCGC00016000-05', 'NCGC00016000-06', 'NCGC00016000-07', 'NCGC00016000-09', 'NCGC00016000-10', 'NCGC00016000-11', 'NCGC00016000-12', 'NCGC00016000-14', 'NCGC00016000-15', 'NCGC00016000-18', 'NCGC00016000-29', 'NCGC00094423-01', 'NCGC00094423-02', 'NCGC00094423-03', 'NCGC00094423-05', 'NCGC00094423-06', 'NCGC00094423-07', 'NCGC00254447-01', 'NCGC00261849-01', "N,N,N'',N''-tetraethylthiuram disulfide", 'R531', "Formamide,1'-dithiobis(N,N-diethylthio)-", 'SBI-0051131.P004', "1,1''-dithiobis(N,N-diethylthioformamide)", 'DB-057683', 'AB00051976', 'B0479', 'EU-0101164', 'FT-0631502', 'FT-0667720', 'SW196492-4', 'Tetraethylthiuram disulfide, >=97.0% (S)', 'W0030', 'C01692', 'D00131', 'S00294', 'AB00051976-20', 'AB00051976-21', 'AB00051976-23', 'AB00051976_22', 'AB00051976_25', 'A845750', 'Q409665', 'Q-201812', 'SR-01000076145-1', 'SR-01000076145-5', 'SR-01000076145-8', 'BRD-K32744045-001-05-6', 'BRD-K32744045-001-17-1', 'Z1522553469', 'Disulfiram, British Pharmacopoeia (BP) Reference Standard', 'Disulfiram, European Pharmacopoeia (EP) Reference Standard', "1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetra", 'Disulfiram, United States Pharmacopeia (USP) Reference Standard', '(diethylamino){[(diethylamino)thioxomethyl]disulfanyl}methane-1-thione', "1,1'',1'''',1''''''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane", 'Disulfiram, Pharmaceutical Secondary Standard; Certified Reference Material', 'N,N-diethylcarbamodithioic acid [[diethylamino(sulfanylidene)methyl]thio] ester'] GSK1070916 TMP195 Pelitinib AZ 960 ['905586-69-8', 'AZ 960', 'AZ-960', 'AZ960', 'UNII-M63IS9PTJF', '(S)-5-Fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile', 'M63IS9PTJF', 'CHEMBL1774055', '(S)-5-fluoro-2-((1-(4-fluorophenyl)ethyl)amino)-6-((5-methyl-1H-pyrazol-3-yl)amino)nicotinonitrile', '5-Fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-pyridinecarbonitrile', '5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile', 'C18H16F2N6', '5-fluoro-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile', 'cc-210', 'MLS006011063', 'GTPL8476', 'SCHEMBL14840365', 'DTXSID60238201', 'SYN1015', 'BCPP000371', 'BCP27683', 'EX-A1802', 'AZ 960;AZ960', 'BDBM50343725', 's2214', 'ZINC43205072', 'AKOS027420925', 'BCP9000348', 'CCG-268082', 'CS-6209', 'NCGC00346581-01', 'NCGC00346581-02', 'NCGC00346581-04', 'NCGC00346581-06', '3-Pyridinecarbonitrile, 5-fluoro-2-(((1S)-1-(4-fluorophenyl)ethyl)amino)-6-((5-methyl-1H-pyrazol-3-yl)amino)-', 'AC-32981', 'AS-74896', 'HY-10411', 'SMR004702855', 'SW219623-1', 'X7504', 'A19389', 'C77068', '586F698', 'J-502242', 'Q27074679', '(R)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile', '(S)-5-Fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino) nicotinonitrile', '(S)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile;AZ 960'] Anacardic Acid Tubastatin A ['Tubastatin A', '1252003-15-8', 'Tubastatin-A', 'Tubastatin A BASE', 'Tubastatin A (free base)', 'N-hydroxy-4-((2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)methyl)benzamide', 'Tubastatin A (trifluoroacetate)', 'Tubastatin A(free base)', 'UNII-2XTSOX1NF8', '2XTSOX1NF8', 'N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide', 'CHEMBL2018302', '1252003-15-8 (free base)', 'Tubastatin A Trifluoroacetate', '4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide', 'Benzamide, N-hydroxy-4-((1,2,3,4-tetrahydro-2-methyl-5H-pyrido(4,3-b)indol-5-yl)methyl)-', 'Benzamide, N-hydroxy-4-[(1,2,3,4-tetrahydro-2-methyl-5H-pyrido[4,3-b]indol-5-yl)methyl]-', 'N9W', 'MLS006011088', 'GTPL9702', 'SCHEMBL1057119', 'CHEBI:94186', 'AOB6340', 'EX-A685', 'HMS3656P20', 'HMS3744E15', 'BCP09011', 'CAC00315', '2771AH', 'BDBM50380399', 'HY-13271A', 'MFCD18071463', 's8049', 'ZINC51951670', 'AKOS027422742', 'CCG-267860', 'CS-5376', 'SB19289', 'NCGC00263606-03', 'NCGC00263606-15', 'AS-16945', 'DA-46698', 'SMR004702876', 'FT-0700144', 'SW219287-2', 'EC-000.2473', 'US8748451, 6', 'J-690100', 'BRD-K00627859-001-01-5', 'Q27165946', '4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzenecarbohydroxamic acid', 'N-Hydroxy-4-((1,2,3,4-tetrahydro-2-methyl-5H-pyrido(4,3-b)indol-5-yl)methyl)benzamide', 'N-hydroxy-4-(2-methyl-1,2,3,4-tetrahydro-pyrido[4,3-b]indol-5-ylmethyl)benzamide', 'N-hydroxy-4-[(2-methyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)methyl]benzamide', 'N-Hydroxy-4-[(2-methyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indole-5-yl)methyl]benzamide', '1-(4-{[2-(1H-Indazol-4-yl)-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl}-1-piperazinyl)-6-methyl-5-heptene-1,4-dione'] Andarine Meprednisone Luminespib Cediranib SGI-1776 free base ['SGI-1776', '1025065-69-3', 'SGI-1776 free base', 'N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine', 'SGI1776', 'SGI 1776', 'N-((1-methylpiperidin-4-yl)methyl)-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine', 'UNII-72AUA0603W', 'N-[(1-Methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-imidazo[1,2-b]pyridazin-6-amine', 'CHEMBL1952329', '72AUA0603W', 'CHEMBL1952141', 'Imidazo[1,2-b]pyridazin-6-amine, N-[(1-methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-;Imidazo[1,2-b]pyridazin-6-amine, N-[(1-methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-', 'Imidazo(1,2-b)pyridazin-6-amine, N-((1-methyl-4-piperidinyl)methyl)-3-(3-(trifluoromethoxy)phenyl)-', 'Imidazo[1,2-b]pyridazin-6-amine, N-[(1-methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-', 'N-((1-Methylpiperidin-4-yl)methyl)-3-(3-(trifluoromethoxy)phenyl)imidazo(1,2-b)pyridazin-6-amine', 'Pim-Kinase Inhibitor IX', 'SGI 1776 free base', 'cc-574', 'MLS006011076', 'SCHEMBL102498', 'GTPL8784', 'CHEBI:95061', 'AOB2259', 'DTXSID10647329', 'QCR-216', 'HMS3655P08', 'HMS3672I15', 'HMS3747C17', 'BCP02279', 'EX-A1373', 'SGI 1776;SGI1776', 'BDBM50364776', 'MFCD16659064', 'NSC757333', 'NSC800883', 's2198', 'ZINC68205235', 'AKOS026750649', 'CCG-264941', 'CS-0513', 'DB12494', 'NSC-757333', 'NSC-800883', 'SB19298', 'NCGC00263186-01', 'NCGC00263186-02', 'NCGC00263186-11', 'AC-28432', 'AS-16326', 'HY-13287', 'SMR004702864', 'DB-058820', 'FT-0702224', 'SW218133-2', 'X7567', 'A25500', 'J-000709', 'J-523286', 'Q27088795', 'N-[(1-methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-imidazo[1,2-beta]pyridazin-6-amine', 'N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-f]pyridazin-6-amine'] Resveratrol Costunolide [5281437, 5458201, 6436243, 556919, 5380858, 5367559, 73164, 133640194, 6180985, 12304109] SRT2104 ['1093403-33-8', 'SRT2104', 'sirtuin modulator', 'SRT-2104', 'SRT2104 (GSK2245840)', 'SRT 2104', 'GSK2245840', '4-methyl-n-(2-(3-(morpholinomethyl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2-(pyridin-3-yl)thiazole-5-carboxamide', 'UNII-4521NR0J09', '4521NR0J09', '4-Methyl-N-(2-{3-[(morpholin-4-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide', '4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide', '5-Thiazolecarboxamide, 4-methyl-N-[2-[3-(4-morpholinylmethyl)imidazo[2,1-b]thiazol-6-yl]phenyl]-2-(3-pyridinyl)-', 'C26H24N6O2S2', '5-Thiazolecarboxamide,4-methyl-N-[2-[3-(4-morpholinylmethyl)imidazo[2,1-b]thiazol-6-yl]phenyl]-2-(3-pyridinyl)-', '4-methyl-N-[2-[3-(morpholinomethyl)imidazo[2,1-b]thiazol-6-yl]phenyl]-2-(pyridin-3-yl)thiazole-5-carboxamide', 'SCHEMBL964014', 'GTPL9515', 'CHEMBL4297436', 'DTXSID00648729', 'BCP17468', 'EX-A1287', '4043AH', 'compound 4 [Ng et al., 2013]', 's7792', 'ZINC43202455', 'CCG-269826', 'CS-0955', 'DB12186', 'NCGC00379071-01', 'AC-33074', 'AS-57311', 'HY-15262', 'A14188', 'A921925', 'Q27258795'] Tanespimycin MK-0752 Carmofur Cerdulatinib PF-3845 ITSA-1 Alendronate sodium trihydrate ['121268-17-5', 'Alendronate sodium trihydrate', 'Alendronate monosodium trihydrate', 'Fosamax', 'Alendronate sodium hydrate', 'Alendros', 'Adronat', 'UNII-2UY4M2U3RA', 'MFCD01748233', '2UY4M2U3RA', 'CHEBI:2566', 'MK-217', 'Monosodium (4-amino-1-hydroxybutylidene)bisphosphonate trihydrate', 'SODIUM ALENDRONATE TRIHYDRATE', 'Arendal', 'Sodium alendronate', 'Elandor', 'Fosalan', 'Dronal', 'G-704,650', 'sodium;(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate;trihydrate', 'Alendronate (Fosamax)', 'DSSTox_CID_27778', 'DSSTox_RID_82554', 'Sodium alendronate hydrate', 'C4H18NNaO10P2', 'DSSTox_GSID_47801', '(4-amino-1-hydroxybutylidene) bisphosphonic acid monosodium salt trihydrate.', 'CAS-121268-17-5', 'MK 217', 'NCGC00096054-03', 'Alendronic acid monosodium salt trihydrate', 'Alendronate sodium [USAN:USP]', 'Binosto (TN)', 'Fosamax (TN)', 'Aminohydroxybutylidene biphosphonate monosodium salt trihydrate', 'Alendronate sodium (USP)', 'G-704650 Adronat', 'Sodium trihydrogen (4-amino-1-hydroxybutylidene)diphosphonate, trihydrate', 'CHEMBL2367465', 'DTXSID7047801', 'Alendronate sodium hydrate (JP17)', 'BCP22746', 'Tox21_111553', 'AKOS015960820', 'AKOS016010492', 'Tox21_111553_1', '129318-43-0 (anhyd.)', 'AB09896', 'AC-8070', 'DS-2820', 'NSC 722597', 'NSC 758931', 'Phosphonic acid, (4-amino-1-hydroxybutylidene)bis-, monosodium salt, trihydrate', 'ALENDRONATE SODIUM SALT TRIHYDRATE', 'NCGC00263967-02', 'BA164144', 'I914', 'SY070842', 'AB0013933', 'ALENDRONATE MONOSODIUM SALT TRIHYDRATE', 'FT-0601586', 'C90614', 'D00939', 'J10154', 'A804705', 'Q-200606', 'Alendronate sodium trihydrate, >=97% (NMR), powder', 'Q27105722', 'Sodium;(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid', '4-amino-1-hydroxy-1-phosphonobutyl phosphonic acid, monosodium', '4-Amino-1-hydroxy-1-phosphonobutyl phosphonic acid monosodium trihydrate', 'Alendronate sodium, United States Pharmacopeia (USP) Reference Standard', 'sodium hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate trihydrate', 'sodium trihydrogen 4-amino-1-hydroxybutylidenediphosphonate trihydrate', 'Alendronate Sodium, Pharmaceutical Secondary Standard; Certified Reference Material', 'Sodium alendronate trihydrate, European Pharmacopoeia (EP) Reference Standard'] Givinostat SB431542 ['301836-41-9', 'SB-431542', 'SB 431542', '4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide', 'SB431542', 'UNII-E1557V1V0N', '4-[4-(1,3-BENZODIOXOL-5-YL)-5-(2-PYRIDINYL)-1H-IMIDAZOL-2-YL]BENZAMIDE', 'SB 431542 hydrate', 'CHEMBL440084', 'C22H16N4O3', 'E1557V1V0N', '4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide', '4-(4-(1,3-Benzodioxole-5-yl)-5-(2-pyridyl)-1H-imidazole-2-yl)benzamide', '4-(5-benzo[1,3]dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)-benzamide', '4-[5-(1,3-Benzodioxol-5-Yl)-4-(Pyridin-2-Yl)-1h-Imidazol-2-Yl]benzamide', 'Benzamide, 4-(4-(1,3-benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl)-', 'SB-431542-A', 'SR-01000597591', '3tzm', 'Benzamide, 4-[4-(1,3-benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl]-', 'Bio2_000852', 'Kinome_3428', '4-[4-(1,3-Benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl]-benzamide hydrate', 'J1.722.247C', '4-[4-(3,4-Methylenedioxyphenyl)-5-(2-pyridyl)-1H-imidazol-2-yl]benzamide', 'BSPBio_001064', 'KBioGR_000404', 'KBioSS_000404', 'MLS006010130', 'SCHEMBL155156', 'GTPL8216', 'QCR-42', 'TB1614-GMP', 'DTXSID7042693', 'BCBcMAP01_000166', 'CHEBI:91108', 'cid_4521392', 'KBio2_000404', 'KBio2_002972', 'KBio2_005540', 'KBio3_000767', 'KBio3_000768', 'AOB6359', 'EX-A144', 'BCPP000076', 'BDBM476220', 'Bio2_000372', 'HMS1362F05', 'HMS1792F05', 'HMS1990F05', 'HMS3268G21', 'HMS3403F05', 'HMS3412L21', 'HMS3648A08', 'HMS3654O13', 'HMS3676L21', 'ZINC603769', 'BCP01765', 'BDBM50110208', 'CC-103', 'MFCD05865244', 'MFCD11045982', 'NSC756453', 'NSC756649', 's1067', '4-(4-Benzo[1,3]dioxol-5-yl-5-pyridin-2-yl-1H-imidazol-2-yl)-benzamide', '4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide', 'AKOS016003159', 'AM81241', 'CCG-264802', 'CS-0135', 'NSC-756453', 'NSC-756649', 'SB19480', 'VZ27752', '4-[4-(2H-1,3-benzodioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide', 'IDI1_002127', 'NCGC00025230-01', 'NCGC00025230-02', 'NCGC00025230-03', 'NCGC00025230-04', 'NCGC00025230-05', 'NCGC00025230-06', 'NCGC00025230-21', 'AC-23169', 'AS-16946', 'HY-10431', 'SMR004701258', 'US10865384, Compound SB431542', 'AB0033746', 'FT-0727008', 'SW212665-2', 'X7468', 'SB431542,SB-431542', 'A25496', 'W12958', 'AB01092258-01', 'J-017814', 'J-514238', 'Q7388913', 'SR-01000597591-1', 'SR-01000597591-2', 'BRD-K67298865-001-02-5', '4-(4-Benzo[1,3]dioxol-5-yl-5-pyridin-2-yl-1H-imidazol-2-yl)benzamide', '4-[4-(1,3-benzodioxol-5-yl)-5-(2-pyridinyl)-1h-imidazol-2-yl]-benzamide', '4-(5-(benzo[d][1,3]dioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide', '4-(5-Benzol[1,3]dioxol-5-yl-4-pyrldin-2-yl-1H-imidazol-2-yl)-benzamide hydrate', '4-[4-(3,4-Methylenedioxyphenyl)-5-(2-pyridyl)-1H-imidazol-2-yl]-benzamide hydrate'] Ramelteon Iniparib ['4-Iodo-3-nitrobenzamide', 'Iniparib', '160003-66-7', 'BSI-201', 'Iniparib (BSI-201)', 'BSI 201', 'SAR240550', 'Benzamide, 4-iodo-3-nitro-', 'IND-71677', 'BSI201', 'UNII-2ZWI7KHK8F', 'NSC-746045', '2ZWI7KHK8F', 'NIBA', 'INO2BA', 'Iniparib [USAN:INN]', '4tki', 'SAR-240550', 'Iniparib (USAN/INN)', 'BSI-201 - Iniparib', '4-iodo-5-nitro-benzamide', 'C7H5IN2O3', 'cc-485', 'MLS006010066', 'SCHEMBL242006', 'GTPL8360', 'CHEMBL1170047', 'SCHEMBL15427439', 'CHEBI:95067', 'AOB6726', 'DTXSID30166784', 'BCPP000313', 'HMS3426C05', 'HMS3654K17', 'ACT06800', 'BCP01784', 'MFCD11110639', 'NSC752493', 's1087', 'ZINC33963533', '4-Iodo-3-nitro-benzamide;BSI-201', 'AKOS015853763', 'AKOS032949733', 'AS05898', 'BCP9000455', 'CCG-264813', 'CM13181', 'CS-0145', 'DB13877', 'GS-4311', 'LS10089', 'NSC-752493', 'QC-4931', 'NCGC00263096-01', 'AC-26931', 'AM803278', 'HY-12015', 'SMR004701226', 'AB0021197', 'DB-064321', 'FT-0670350', 'SW218112-2', 'V2440', '4-Oxo-1,4-dihydro-quinoline-6-carboxylicacid', 'EC-000.2329', 'D09913', 'Q260286', 'J-515558', 'BRD-K11153516-001-01-4', '33E'] Tucidinostat PCI-34051 Epothilone A Thiotepa YM155 ['Sepantronium bromide', '781661-94-7', 'YM155', 'YM-155', 'Ym 155', 'YM155 (Sepantronium Bromide)', 'UNII-7H5Q4J1CM5', '4,9-Dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-1H-naphth[2,3-d]imidazolium bromide', '7H5Q4J1CM5', '1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(pyrazin-2-ylmethyl)-4,9-dihydro-1h-naphtho[2,3-d]imidazol-3-ium bromide', '3-(2-METHOXYETHYL)-2-METHYL-4,9-DIOXO-1-(PYRAZIN-2-YLMETHYL)NAPHTHO[2,3-D]IMIDAZOL-1-IUM BROMIDE', '1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione;bromide', '3-(2-methoxyethyl)-2-methyl-4,9-dioxo-1-(pyrazin-2-ylmethyl)-4,9-dihydro-1H-naphtho[2,3-d]imidazol-3-ium bromide.', 'Sepantronium bromide [USAN:INN]', 'sepantronii bromidum', 'bromuro de sepantronio', 'bromure de sepantronium', 'MLS006010288', 'SCHEMBL727997', 'YM-155; Sepantronium bromide', 'CHEMBL2105734', 'SCHEMBL16584072', 'DTXSID90228817', 'CHEBI:139608', 'Sepantronium bromide (JAN/USAN)', 'BCPP000007', 'HMS3654A08', 'AMY10848', 'AOB87756', 'BCP01864', 'EX-A2187', 'BDBM50468263', 'MFCD11983133', 's1130', 'CCG-264831', 'CS-0336', 'AC-26890', 'AS-17057', 'HY-10194', 'SMR004701357', 'AB0008055', 'FT-0660380', 'SW219422-1', 'X7538', 'D10164', 'J-514184', 'Q27268284', '1H-Naphth(2,3-d)imidazolium, 4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(pyrazinylmethyl)-, bromide', '1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-, bromide', '1H-Naphth[2,3-d]imidazolium,4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-,bromide (1:1)', '3-(2-methoxyethyl)-2-methyl-4,9-dioxo-1-(pyrazin-2-ylmethyl)-4,9-dihydro-1H-naphtho[2,3-d]imidazol-3-ium bromide', '3-(2-Methoxyethyl)-2-methyl-4,9-dioxo-1-pyrazin-2-ylmethyl-4,9-dihydro-3H-naphtho[2,3-d]imidazol-1-ium bromide'] PHA-680632 CPU times: user 8.82 s, sys: 786 ms, total: 9.61 s Wall time: 4min 56s
cid
[176167]
cid = pcp.get_cids('panobinostat', 'name', list_return='flat')[0]
cmpd = pcp.Compound.from_cid(cid)
cmpd.synonyms
['Panobinostat', '404950-80-7', 'LBH589', 'Farydak', 'LBH-589', 'Faridak', 'LBH 589', 'Panobinostat (LBH589)', '(E)-N-Hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)acrylamide', 'NVP-LBH589', 'NVP-LBH-589', 'UNII-9647FM7Y3Z', 'LBH-589B', 'CHEBI:85990', '9647FM7Y3Z', '404950-80-7 (free base)', '(E)-N-HYDROXY-3-(4-{[2-(2-METHYL-1H-INDOL-3-YL)-ETHYLAMINO]-METHYL}-PHENYL)-ACRYLAMIDE', '(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide', 'Farydak (TN)', '(2E)-N-hydroxy-3-[4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methyl)phenyl]acrylamide', '(2E)-N-hydroxy-3-[4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enamide', '(E)-N-hydroxy-3-(4-((2-(2-methyl-1H-indol-3-yl)ethylamino)methyl)phenyl)acrylamide', '2-Propenamide, N-hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-, (2E)-', 'Panobinostat [USAN:INN]', '2-Propenamide, N-hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)-, (2E)-', 'N-hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)-ethyl]-amino]methyl]phenyl]-2E-2-propenamide', 'Panobinostat(LBH589)', 'LBH589 - Panobinostat', 'Panobinostat (USAN/INN)', 'N-Hydroxy-3-[4-[2-(2-methyl-1H-indol-3-yl)ethylaminomethyl]phenyl]-2(E)-propenamide', 'cc-487', 'MLS006011216', 'NVP-LBH 589', 'SCHEMBL164801', 'SCHEMBL183197', 'CHEMBL483254', 'GTPL7489', 'SCHEMBL22773814', 'BDBM29589', 'CHEBI:93774', 'DTXSID40193506', 'EX-A169', 'BCPP000187', 'BDBM198124', 'AOB87727', 'BCP01816', 'LBH58,9NVP-LBH589,Panobinostat', 'MFCD09833242', 'NSC761190', 's1030', 'ZINC22010649', 'AKOS005146046', 'ACN-025765', 'BCP9000844', 'CCG-208762', 'CS-0267', 'DB06603', 'EX-8456', 'NSC-761190', '(2E)-N-Hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2-propenamide', '(E)-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enehydroxamic acid', 'NCGC00263117-05', 'NCGC00263117-07', '2-Propenamide, N-hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino) methyl)phenyl)-, (2E)-', 'AC-28652', 'AM808102', 'AS-17046', 'HY-10224', 'QC-10419', 'SMR004702978', 'AB0007883', 'DB-025426', 'SW219369-1', 'W6096', 'EC-000.2287', 'A25218', 'D10319', '139304-EP2270008A1', '139304-EP2292617A1', 'J-523585', 'Q7131441', 'BRD-K02130563-001-07-2', '(E)-N-Hydroxy-3-[4-[[[2-(2-methyl-1H-indole-3-yl)ethyl]amino]methyl]phenyl]acrylamide', 'N-hydroxy-3 -[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2E-2-propenamide', 'N-hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2E-2-propenamide', 'Panobinostat;(E)-N-hydroxy-3-(4-((2-(2-methyl-1H-indol-3-yl)ethylamino)methyl)phenyl)acrylamide']
Let's train the simplest model we can - a sgRNA classifier. From the weights of the model, you could extract common features of the sgRNA's effect.
# subset data
subset = adata[
adata.obs.perturbation_name.isin(['EGR1', 'IRF1', 'NCL', 'SET'])]
# prepare train/test split
from sklearn.model_selection import train_test_split
test_idx, train_idx = train_test_split(subset.obs.index, test_size=.2)
test = subset[test_idx]
train = subset[train_idx]
# train classifier
clf = sk.linear_model.LogisticRegression()
clf.fit(train.X, train.obs.perturbation_name.values)
LogisticRegression()
# evaluate prediction
print(sk.metrics.classification_report(
test.obs.perturbation_name.values,
clf.predict(test.X)
))
precision recall f1-score support EGR1 0.62 0.66 0.64 5246 IRF1 0.43 0.38 0.40 3368 NCL 0.47 0.22 0.30 290 SET 0.79 0.91 0.84 1115 accuracy 0.58 10019 macro avg 0.58 0.54 0.55 10019 weighted avg 0.57 0.58 0.57 10019
Not bad for a 4-class classification problem.
Much harder case: let's try leaving out one Norman et al. 2019 and only learn the treatments from the other two datasets. We've performed no batch correction between datasets so we would expect this to be extremely difficult for a linear model.
test = subset[subset.obs.dataset == 'Norman_2019']
train = subset[subset.obs.dataset != 'Norman_2019']
clf = sk.linear_model.LogisticRegression()
clf.fit(train.X, train.obs.perturbation_name.values)
LogisticRegression()
print(sk.metrics.classification_report(
test.obs.perturbation_name.values,
clf.predict(test.X)
))
precision recall f1-score support EGR1 0.14 0.46 0.22 321 IRF1 0.17 0.37 0.23 427 NCL 0.00 0.00 0.00 237 SET 0.00 0.00 0.00 985 accuracy 0.16 1970 macro avg 0.08 0.21 0.11 1970 weighted avg 0.06 0.16 0.09 1970
Indeed, we see that the linear model is not at all predictive due to the batch effect across datasets.